phenyl 4-methyl-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazole-1-carboxylate

Systemtic Name: phenyl 4-methyl-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazole-1-carboxylate Openeye Name: phenyl 4-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazole-1-carboxylate CAS Name: 4-methyl-3-(methylthio)-5-oxo-1,2,4-triazole-1-carboxylic acid phenyl ester IUPAC Name: phenyl 4-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazole-1-carboxylate Traditional Name: 5-keto-4-methyl-3-(methylthio)-1,2,4-triazole-1-carboxylic acid phenyl ester Formula: C11H11N3O3S MolecularWeight: 265.28834

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)C(=O)OC2=CC=CC=C2)SC

Isomeric SMILES

CN1C(=NN(C1=O)C(=O)OC2=CC=CC=C2)SC

InChI

InChI=1S/C11H11N3O3S/c1-13-9(18-2)12-14(10(13)15)11(16)17-8-6-4-3-5-7-8/h3-7H,1-2H3