2-[2-(4-chlorophenyl)-3-(2-sulfanylethanoyl)benzimidazol-3-ium-1-yl]-2-oxidanylidene-ethanethiolate

Systemtic Name: 2-[2-(4-chlorophenyl)-3-(2-sulfanylethanoyl)benzimidazol-3-ium-1-yl]-2-oxidanylidene-ethanethiolate Openeye Name: 2-[2-(4-chlorophenyl)-3-(2-sulfanylacetyl)benzimidazol-3-ium-1-yl]-2-oxo-ethanethiolate CAS Name: 2-[2-(4-chlorophenyl)-3-(2-mercapto-1-oxoethyl)-1-benzimidazol-3-iumyl]-2-oxoethanethiolate IUPAC Name: 2-[2-(4-chlorophenyl)-3-(2-sulfanylacetyl)benzimidazol-3-ium-1-yl]-2-oxoethanethiolate Traditional Name: 2-[2-(4-chlorophenyl)-3-(2-mercaptoacetyl)benzimidazol-3-ium-1-yl]-2-keto-ethanethiolate Formula: C17H13ClN2O2S2 MolecularWeight: 376.88032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=[N+]2C(=O)CS)C3=CC=C(C=C3)Cl)C(=O)C[S-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=[N+]2C(=O)CS)C3=CC=C(C=C3)Cl)C(=O)C[S-]

InChI

InChI=1S/C17H13ClN2O2S2/c18-12-7-5-11(6-8-12)17-19(15(21)9-23)13-3-1-2-4-14(13)20(17)16(22)10-24/h1-8H,9-10H2,(H-,23,24)