1-cyclohexyl-2-(2-phenyl-4-phenylsulfanyl-quinolin-6-yl)benzimidazole-5-carboxylic acid

Systemtic Name: 1-cyclohexyl-2-(2-phenyl-4-phenylsulfanyl-quinolin-6-yl)benzimidazole-5-carboxylic acid Openeye Name: 1-cyclohexyl-2-(2-phenyl-4-phenylsulfanyl-6-quinolyl)benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-[2-phenyl-4-(phenylthio)-6-quinolinyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-cyclohexyl-2-(2-phenyl-4-phenylsulfanylquinolin-6-yl)benzimidazole-5-carboxylic acid Traditional Name: 1-cyclohexyl-2-[2-phenyl-4-(phenylthio)-6-quinolyl]benzimidazole-5-carboxylic acid Formula: C35H29N3O2S MolecularWeight: 555.68866

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC5=C(C=C4)N=C(C=C5SC6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC5=C(C=C4)N=C(C=C5SC6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C35H29N3O2S/c39-35(40)25-17-19-32-31(21-25)37-34(38(32)26-12-6-2-7-13-26)24-16-18-29-28(20-24)33(41-27-14-8-3-9-15-27)22-30(36-29)23-10-4-1-5-11-23/h1,3-5,8-11,14-22,26H,2,6-7,12-13H2,(H,39,40)