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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(3-methoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]ethanehydrazide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(3-methoxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]acetohydrazide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N'-[(3-methoxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]acetohydrazide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(3-methoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]acetohydrazide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N'-[(4-keto-3-methoxy-5-nitro-cyclohexa-2,5-dien-1-ylidene)methyl]acetohydrazide Formula: C17H14N4O5S2 MolecularWeight: 418.44686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNNC(=O)CSC2=NC3=CC=CC=C3S2)C=C(C1=O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CNNC(=O)CSC2=NC3=CC=CC=C3S2)C=C(C1=O)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O5S2/c1-26-13-7-10(6-12(16(13)23)21(24)25)8-18-20-15(22)9-27-17-19-11-4-2-3-5-14(11)28-17/h2-8,18H,9H2,1H3,(H,20,22)