2-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]carbonylbenzoic acid

Systemtic Name: 2-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]carbonylbenzoic acid Openeye Name: 2-(2-benzylsulfanylbenzimidazole-1-carbonyl)benzoic acid CAS Name: 2-[oxo-[2-(phenylmethylthio)-1-benzimidazolyl]methyl]benzoic acid IUPAC Name: 2-(2-benzylsulfanylbenzimidazole-1-carbonyl)benzoic acid Traditional Name: 2-[2-(benzylthio)benzimidazole-1-carbonyl]benzoic acid Formula: C22H16N2O3S MolecularWeight: 388.43904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N2C(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N2C(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C22H16N2O3S/c25-20(16-10-4-5-11-17(16)21(26)27)24-19-13-7-6-12-18(19)23-22(24)28-14-15-8-2-1-3-9-15/h1-13H,14H2,(H,26,27)