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α-对甲苯磺酰基苄基异腈CAS号 : 36635-66-2 Compound CID : 10967613分子式: C15H13NO2S 分子量: 271.33IUPAC Name: 1-[isocyano(phenyl)methyl]sulfonyl-4-methylbenzeneSMILES: CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=CC=C2)[N+]#[C-]InChIKey: KIJCBVOPJSHLBI-UHFFFAOYSA-NInChI: InChI=1S/C15H13NO2S/c1-12-8-10-14(11-9-12)19(17,18)15(16-2)13-6-4-3-5-7-13/h3-11,15H,1H3
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2-氨基-3-甲酰色酮CAS号 : 61424-76-8 Compound CID : 735928分子式: C10H7NO3 分子量: 189.17IUPAC Name: 2-amino-4-oxochromene-3-carbaldehydeSMILES: C1=CC=C2C(=C1)C(=O)C(=C(O2)N)C=OInChIKey: TVGIYZVZBKAJRR-UHFFFAOYSA-NInChI: InChI=1S/C10H7NO3/c11-10-7(5-12)9(13)6-3-1-2-4-8(6)14-10/h1-5H,11H2
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6-乙酰基-2H-1,4-苯并恶嗪-3(4H)-酮CAS号 : 26518-71-8 Compound CID : 3641956分子式: C10H9NO3 分子量: 191.19IUPAC Name: 6-acetyl-4H-1,4-benzoxazin-3-oneSMILES: CC(=O)C1=CC2=C(C=C1)OCC(=O)N2InChIKey: BKJFWHFUERNXLJ-UHFFFAOYSA-NInChI: InChI=1S/C10H9NO3/c1-6(12)7-2-3-9-8(4-7)11-10(13)5-14-9/h2-4H,5H2,1H3,(H,11,13)
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2-苯氨基-9,9-二甲基芴CAS号 : 355832-04-1 Compound CID : 18730177分子式: C21H19N 分子量: 285.39IUPAC Name: 9,9-dimethyl-N-phenylfluoren-2-amineSMILES: CC1(C2=CC=CC=C2C3=C1C=C(C=C3)NC4=CC=CC=C4)CInChIKey: RFTRFDMRINNTSI-UHFFFAOYSA-NInChI: InChI=1S/C21H19N/c1-21(2)19-11-7-6-10-17(19)18-13-12-16(14-20(18)21)22-15-8-4-3-5-9-15/h3-14,22H,1-2H3
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1-(4-溴苯基)哌嗪盐酸盐CAS号 : 68104-62-1 Compound CID : 14422838分子式: C10H13BrN2·HCl 分子量: 277.59IUPAC Name: 1-(4-bromophenyl)piperazine;hydrochlorideSMILES: C1CN(CCN1)C2=CC=C(C=C2)Br.ClInChIKey: YDVSFRZKQMQPJD-UHFFFAOYSA-NInChI: InChI=1S/C10H13BrN2.ClH/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13;/h1-4,12H,5-8H2;1H
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3,9'-联咔唑CAS号 : 18628-07-4 Compound CID : 13236022分子式: C24H16N2 分子量: 332.41IUPAC Name: 3-carbazol-9-yl-9H-carbazoleSMILES: C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)N4C5=CC=CC=C5C6=CC=CC=C64InChIKey: FHJJVSJWFYYPAC-UHFFFAOYSA-NInChI: InChI=1S/C24H16N2/c1-4-10-21-17(7-1)20-15-16(13-14-22(20)25-21)26-23-11-5-2-8-18(23)19-9-3-6-12-24(19)26/h1-15,25H
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1-苄基-3-苯基硫脲CAS号 : 726-25-0分子式: C14H14N2S 分子量: 242.34IUPAC Name: 1-benzyl-3-phenylthioureaSMILES: C1=CC=C(C=C1)CNC(=S)NC2=CC=CC=C2InChIKey: NXCBDDGSOXJEFZ-UHFFFAOYSA-NInChI: InChI=1S/C14H14N2S/c17-14(16-13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,15,16,17)
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4,5-双(2-氰乙基硫代)-1,2-二硫醇-2-酮CAS号 : 158871-28-4 Compound CID : 4260353分子式: C9H8N2OS4 分子量: 288.42IUPAC Name: 3-[[5-(2-cyanoethylsulfanyl)-2-oxo-1,3-dithiol-4-yl]sulfanyl]propanenitrileSMILES: C(CSC1=C(SC(=O)S1)SCCC#N)C#NInChIKey: SIYHFUIJFJOCQE-UHFFFAOYSA-NInChI: InChI=1S/C9H8N2OS4/c10-3-1-5-13-7-8(14-6-2-4-11)16-9(12)15-7/h1-2,5-6H2
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4-(4-溴苯基)-2,6-二苯基嘧啶CAS号 : 58536-46-2 Compound CID : 1714899分子式: C22H15BrN2 分子量: 387.28IUPAC Name: 4-(4-bromophenyl)-2,6-diphenylpyrimidineSMILES: C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)BrInChIKey: GHDBFGUOBVYEOV-UHFFFAOYSA-NInChI: InChI=1S/C22H15BrN2/c23-19-13-11-17(12-14-19)21-15-20(16-7-3-1-4-8-16)24-22(25-21)18-9-5-2-6-10-18/h1-15H
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1,3-双(4-氯苯基)尿素CAS号 : 1219-99-4分子式: C13H10Cl2N2O 分子量: 281.14IUPAC Name: 1,3-bis(4-chlorophenyl)ureaSMILES: C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)Cl)ClInChIKey: ZNQCSLYENQIUMJ-UHFFFAOYSA-NInChI: InChI=1S/C13H10Cl2N2O/c14-9-1-5-11(6-2-9)16-13(18)17-12-7-3-10(15)4-8-12/h1-8H,(H2,16,17,18)
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2,4-双(4-联苯基)-6-氯-1,3,5-三嗪CAS号 : 182918-13-4 Compound CID : 22476006分子式: C27H18ClN3 分子量: 419.91IUPAC Name: 2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazineSMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC(=N3)Cl)C4=CC=C(C=C4)C5=CC=CC=C5InChIKey: FVQBRDRAILXTMJ-UHFFFAOYSA-NInChI: InChI=1S/C27H18ClN3/c28-27-30-25(23-15-11-21(12-16-23)19-7-3-1-4-8-19)29-26(31-27)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H
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2-(3'-氯代联苯-3-基)-4,6-二苯基-1,3,5-三嗪CAS号 : 1443049-83-9 Compound CID : 90177101分子式: C27H18ClN3 分子量: 419.91IUPAC Name: 2-[3-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazineSMILES: C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC(=C3)C4=CC(=CC=C4)Cl)C5=CC=CC=C5InChIKey: MMAIMCOMSPMTKJ-UHFFFAOYSA-NInChI: InChI=1S/C27H18ClN3/c28-24-16-8-14-22(18-24)21-13-7-15-23(17-21)27-30-25(19-9-3-1-4-10-19)29-26(31-27)20-11-5-2-6-12-20/h1-18H
