(phenylmethyl) 4-azanyl-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazole-1-carboxylate

Systemtic Name: (phenylmethyl) 4-azanyl-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazole-1-carboxylate Openeye Name: benzyl 4-amino-3-methylsulfanyl-5-oxo-1,2,4-triazole-1-carboxylate CAS Name: 4-amino-3-(methylthio)-5-oxo-1,2,4-triazole-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-amino-3-methylsulfanyl-5-oxo-1,2,4-triazole-1-carboxylate Traditional Name: 4-amino-5-keto-3-(methylthio)-1,2,4-triazole-1-carboxylic acid benzyl ester Formula: C11H12N4O3S MolecularWeight: 280.30298

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=O)N1N)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CSC1=NN(C(=O)N1N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C11H12N4O3S/c1-19-9-13-15(10(16)14(9)12)11(17)18-7-8-5-3-2-4-6-8/h2-6H,7,12H2,1H3