2-(1H-benzimidazol-2-ylsulfanyl)-N'-[(5-methoxy-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]ethanehydrazide

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N'-[(5-methoxy-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]ethanehydrazide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N'-[(5-methoxy-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]acetohydrazide CAS Name: 2-(1H-benzimidazol-2-ylthio)-N'-[(5-methoxy-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]acetohydrazide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N'-[(5-methoxy-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]acetohydrazide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-N'-[(6-keto-5-methoxy-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]acetohydrazide Formula: C17H15N5O5S MolecularWeight: 401.3965

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=CNNC(=O)CSC2=NC3=CC=CC=C3N2)C1=O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=CNNC(=O)CSC2=NC3=CC=CC=C3N2)C1=O)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O5S/c1-27-14-7-11(22(25)26)6-10(16(14)24)8-18-21-15(23)9-28-17-19-12-4-2-3-5-13(12)20-17/h2-8,18H,9H2,1H3,(H,19,20)(H,21,23)