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

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(3-nitrophenyl)methylideneamino]ethanamide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(3-nitrophenyl)methyleneamino]acetamide CAS Name: 2-(1H-benzimidazol-2-ylthio)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-N-[(E)-(3-nitrobenzylidene)amino]acetamide Formula: C16H13N5O3S MolecularWeight: 355.37112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC(=O)N/N=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O3S/c22-15(10-25-16-18-13-6-1-2-7-14(13)19-16)20-17-9-11-4-3-5-12(8-11)21(23)24/h1-9H,10H2,(H,18,19)(H,20,22)/b17-9+