2-[4-[[2-chloranyl-5-(4-methoxyphenyl)phenyl]methylsulfanyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[4-[[2-chloranyl-5-(4-methoxyphenyl)phenyl]methylsulfanyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-[[2-chloro-5-(4-methoxyphenyl)phenyl]methylsulfanyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[4-[[2-chloro-5-(4-methoxyphenyl)phenyl]methylthio]phenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[4-[[2-chloro-5-(4-methoxyphenyl)phenyl]methylsulfanyl]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[4-[[2-chloro-5-(4-methoxyphenyl)benzyl]thio]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C34H31ClN2O3S MolecularWeight: 583.13954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=C(C=C2)Cl)CSC3=CC=C(C=C3)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=C(C=C2)Cl)CSC3=CC=C(C=C3)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C(=O)O

InChI

InChI=1S/C34H31ClN2O3S/c1-40-28-13-7-22(8-14-28)24-11-17-30(35)26(19-24)21-41-29-15-9-23(10-16-29)33-36-31-20-25(34(38)39)12-18-32(31)37(33)27-5-3-2-4-6-27/h7-20,27H,2-6,21H2,1H3,(H,38,39)