2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[(4-nitrophenyl)methylideneamino]ethanamide

Systemtic Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[(4-nitrophenyl)methylideneamino]ethanamide Openeye Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[(4-nitrophenyl)methyleneamino]acetamide CAS Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-N-[(4-nitrophenyl)methylideneamino]acetamide IUPAC Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[(4-nitrophenyl)methylideneamino]acetamide Traditional Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-N-[(4-nitrobenzylidene)amino]acetamide Formula: C17H16N5O3S+ MolecularWeight: 370.40564

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O3S/c1-21-15-5-3-2-4-14(15)19-17(21)26-11-16(23)20-18-10-12-6-8-13(9-7-12)22(24)25/h2-10H,11H2,1H3,(H,20,23)/p+1