2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N'-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]ethanehydrazide

Systemtic Name: 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N'-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]ethanehydrazide Openeye Name: 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N'-[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]acetohydrazide CAS Name: 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N'-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]acetohydrazide IUPAC Name: 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N'-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]acetohydrazide Traditional Name: 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N'-[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]acetohydrazide Formula: C25H22N6O6S MolecularWeight: 534.54378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NNC=C4C=C(C=CC4=O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NNC=C4C=C(C=CC4=O)[N+](=O)[O-])OC

InChI

InChI=1S/C25H22N6O6S/c1-36-21-11-8-16(13-22(21)37-2)24-28-29-25(30(24)18-6-4-3-5-7-18)38-15-23(33)27-26-14-17-12-19(31(34)35)9-10-20(17)32/h3-14,26H,15H2,1-2H3,(H,27,33)