methyl (2Z)-2-[(2-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)hydrazinylidene]-3-cyano-3-phenyl-propanoate

Systemtic Name: methyl (2Z)-2-[(2-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)hydrazinylidene]-3-cyano-3-phenyl-propanoate Openeye Name: methyl (2Z)-2-[(2-amino-5-thioxo-1H-1,2,4-triazol-3-yl)hydrazono]-3-cyano-3-phenyl-propanoate CAS Name: (2Z)-2-[(2-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)hydrazinylidene]-3-cyano-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2Z)-2-[(2-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)hydrazinylidene]-3-cyano-3-phenylpropanoate Traditional Name: (2Z)-2-[(2-amino-5-thioxo-1H-1,2,4-triazol-3-yl)hydrazono]-3-cyano-3-phenyl-propionic acid methyl ester Formula: C13H13N7O2S MolecularWeight: 331.35302

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=NNC1=NC(=S)NN1N)C(C#N)C2=CC=CC=C2

Isomeric SMILES

COC(=O)/C(=N\NC1=NC(=S)NN1N)/C(C#N)C2=CC=CC=C2

InChI

InChI=1S/C13H13N7O2S/c1-22-11(21)10(9(7-14)8-5-3-2-4-6-8)17-18-12-16-13(23)19-20(12)15/h2-6,9H,15H2,1H3,(H2,16,18,19,23)/b17-10-