methyl (1E)-N-carbamothioyl-2-cyano-2-[(4-ethanoylphenyl)diazenyl]ethanehydrazonate

Systemtic Name: methyl (1E)-N-carbamothioyl-2-cyano-2-[(4-ethanoylphenyl)diazenyl]ethanehydrazonate Openeye Name: methyl (1E)-2-(4-acetylphenyl)azo-N-carbamothioyl-2-cyano-ethanehydrazonate CAS Name: (1E)-2-(4-acetylphenyl)azo-N-carbamothioyl-2-cyanoethanehydrazonic acid methyl ester IUPAC Name: methyl (1E)-2-[(4-acetylphenyl)diazenyl]-N-carbamothioyl-2-cyanoethanehydrazonate Traditional Name: (1E)-2-(4-acetylphenyl)azo-2-cyano-N-thiocarbamoyl-acetohydrazonic acid methyl ester Formula: C13H14N6O2S MolecularWeight: 318.35426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N=NC(C#N)C(=NNC(=S)N)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N=NC(C#N)/C(=N\NC(=S)N)/OC

InChI

InChI=1S/C13H14N6O2S/c1-8(20)9-3-5-10(6-4-9)16-17-11(7-14)12(21-2)18-19-13(15)22/h3-6,11H,1-2H3,(H3,15,19,22)/b17-16?,18-12+