2-(1H-benzimidazol-2-ylsulfanyl)-N'-[(E)-(5-nitro-2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]ethanehydrazide

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N'-[(E)-(5-nitro-2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]ethanehydrazide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N'-[(E)-(2-hydroxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]acetohydrazide CAS Name: 2-(1H-benzimidazol-2-ylthio)-N'-[(E)-(2-hydroxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]acetohydrazide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N'-[(E)-(2-hydroxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]acetohydrazide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-N'-[(E)-(2-hydroxy-4-keto-5-nitro-cyclohexa-2,5-dien-1-ylidene)methyl]acetohydrazide Formula: C16H13N5O5S MolecularWeight: 387.36992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC(=O)NNC=C3C=C(C(=O)C=C3O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC(=O)NN/C=C/3\C=C(C(=O)C=C3O)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O5S/c22-13-6-14(23)12(21(25)26)5-9(13)7-17-20-15(24)8-27-16-18-10-3-1-2-4-11(10)19-16/h1-7,17,22H,8H2,(H,18,19)(H,20,24)/b9-7+