2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(4-cyanophenyl)ethanamide

Systemtic Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(4-cyanophenyl)ethanamide Openeye Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(4-cyanophenyl)acetamide CAS Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-(4-cyanophenyl)acetamide IUPAC Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(4-cyanophenyl)acetamide Traditional Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-(4-cyanophenyl)acetamide Formula: C16H13N4OS+ MolecularWeight: 309.36562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[NH+]2)SCC(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[NH+]2)SCC(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H12N4OS/c17-9-11-5-7-12(8-6-11)18-15(21)10-22-16-19-13-3-1-2-4-14(13)20-16/h1-8H,10H2,(H,18,21)(H,19,20)/p+1