2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-N-[(4-nitrophenyl)amino]-C-pyridin-3-yl-carbonimidoyl]imino-ethanamide

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-N-[(4-nitrophenyl)amino]-C-pyridin-3-yl-carbonimidoyl]imino-ethanamide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-N-(4-nitroanilino)-C-(3-pyridyl)carbonimidoyl]imino-acetamide CAS Name: 2-(1H-benzimidazol-2-ylthio)-N-[(E)-[(4-nitrophenyl)hydrazinylidene]-(3-pyridinyl)methyl]iminoacetamide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-N-(4-nitroanilino)-C-pyridin-3-ylcarbonimidoyl]iminoacetamide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-N-[(E)-N-(4-nitroanilino)-C-(3-pyridyl)carbonimidoyl]imino-acetamide Formula: C21H16N8O3S MolecularWeight: 460.46854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC(=O)N=NC(=NNC3=CC=C(C=C3)[N+](=O)[O-])C4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC(=O)N=N/C(=N/NC3=CC=C(C=C3)[N+](=O)[O-])/C4=CN=CC=C4

InChI

InChI=1S/C21H16N8O3S/c30-19(13-33-21-23-17-5-1-2-6-18(17)24-21)26-28-20(14-4-3-11-22-12-14)27-25-15-7-9-16(10-8-15)29(31)32/h1-12,25H,13H2,(H,23,24)/b27-20+,28-26?