[(3,4-dimethyl-5-oxidanylidene-1,2,4-triazol-1-yl)carbonylamino] 2-methylbenzenesulfinate

Systemtic Name: [(3,4-dimethyl-5-oxidanylidene-1,2,4-triazol-1-yl)carbonylamino] 2-methylbenzenesulfinate Openeye Name: [(3,4-dimethyl-5-oxo-1,2,4-triazole-1-carbonyl)amino] 2-methylbenzenesulfinate CAS Name: 2-methylbenzenesulfinic acid [[(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-oxomethyl]amino] ester IUPAC Name: [(3,4-dimethyl-5-oxo-1,2,4-triazole-1-carbonyl)amino] 2-methylbenzenesulfinate Traditional Name: 2-methylbenzenesulfinic acid [(5-keto-3,4-dimethyl-1,2,4-triazole-1-carbonyl)amino] ester Formula: C12H14N4O4S MolecularWeight: 310.32896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)ONC(=O)N2C(=O)N(C(=N2)C)C

Isomeric SMILES

CC1=CC=CC=C1S(=O)ONC(=O)N2C(=O)N(C(=N2)C)C

InChI

InChI=1S/C12H14N4O4S/c1-8-6-4-5-7-10(8)21(19)20-14-11(17)16-12(18)15(3)9(2)13-16/h4-7H,1-3H3,(H,14,17)