2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-[(2-nitrophenyl)methylideneamino]ethanamide

Systemtic Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-[(2-nitrophenyl)methylideneamino]ethanamide Openeye Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-[(2-nitrophenyl)methyleneamino]acetamide CAS Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-[(2-nitrophenyl)methylideneamino]acetamide IUPAC Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-[(2-nitrophenyl)methylideneamino]acetamide Traditional Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-[(2-nitrobenzylidene)amino]acetamide Formula: C16H14N5O3S+ MolecularWeight: 356.37906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=NNC(=O)CSC2=[NH+]C3=CC=CC=C3N2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C=NNC(=O)CSC2=[NH+]C3=CC=CC=C3N2)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O3S/c22-15(10-25-16-18-12-6-2-3-7-13(12)19-16)20-17-9-11-5-1-4-8-14(11)21(23)24/h1-9H,10H2,(H,18,19)(H,20,22)/p+1