2-(4-chlorophenyl)-1-cyclohexyl-6-[(3-methylsulfanylphenyl)methoxy]-4-phenyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-(4-chlorophenyl)-1-cyclohexyl-6-[(3-methylsulfanylphenyl)methoxy]-4-phenyl-benzimidazole-5-carboxylic acid Openeye Name: 2-(4-chlorophenyl)-1-cyclohexyl-6-[(3-methylsulfanylphenyl)methoxy]-4-phenyl-benzimidazole-5-carboxylic acid CAS Name: 2-(4-chlorophenyl)-1-cyclohexyl-6-[[3-(methylthio)phenyl]methoxy]-4-phenyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-(4-chlorophenyl)-1-cyclohexyl-6-[(3-methylsulfanylphenyl)methoxy]-4-phenylbenzimidazole-5-carboxylic acid Traditional Name: 2-(4-chlorophenyl)-1-cyclohexyl-6-[3-(methylthio)benzyl]oxy-4-phenyl-benzimidazole-5-carboxylic acid Formula: C34H31ClN2O3S MolecularWeight: 583.13954

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)COC2=C(C(=C3C(=C2)N(C(=N3)C4=CC=C(C=C4)Cl)C5CCCCC5)C6=CC=CC=C6)C(=O)O

Isomeric SMILES

CSC1=CC=CC(=C1)COC2=C(C(=C3C(=C2)N(C(=N3)C4=CC=C(C=C4)Cl)C5CCCCC5)C6=CC=CC=C6)C(=O)O

InChI

InChI=1S/C34H31ClN2O3S/c1-41-27-14-8-9-22(19-27)21-40-29-20-28-32(30(31(29)34(38)39)23-10-4-2-5-11-23)36-33(24-15-17-25(35)18-16-24)37(28)26-12-6-3-7-13-26/h2,4-5,8-11,14-20,26H,3,6-7,12-13,21H2,1H3,(H,38,39)