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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C/C(=C\NNC(=O)CSC2=NC3=CC=CC=C3N2)/C=C(C1=O)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O5S/c1-27-14-7-10(6-13(16(14)24)22(25)26)8-18-21-15(23)9-28-17-19-11-4-2-3-5-12(11)20-17/h2-8,18H,9H2,1H3,(H,19,20)(H,21,23)/b10-8-