2-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]carbonylbenzoate

Systemtic Name: 2-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]carbonylbenzoate Openeye Name: 2-(2-benzylsulfanylbenzimidazole-1-carbonyl)benzoate CAS Name: 2-[oxo-[2-(phenylmethylthio)-1-benzimidazolyl]methyl]benzoate IUPAC Name: 2-(2-benzylsulfanylbenzimidazole-1-carbonyl)benzoate Traditional Name: 2-[2-(benzylthio)benzimidazole-1-carbonyl]benzoate Formula: C22H15N2O3S- MolecularWeight: 387.4311

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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)/p-1