[(3,4-dimethoxy-5-oxidanylidene-1,2,4-triazol-1-yl)carbonylamino] 2-methoxybenzenesulfinate

Systemtic Name: [(3,4-dimethoxy-5-oxidanylidene-1,2,4-triazol-1-yl)carbonylamino] 2-methoxybenzenesulfinate Openeye Name: [(3,4-dimethoxy-5-oxo-1,2,4-triazole-1-carbonyl)amino] 2-methoxybenzenesulfinate CAS Name: 2-methoxybenzenesulfinic acid [[(3,4-dimethoxy-5-oxo-1,2,4-triazol-1-yl)-oxomethyl]amino] ester IUPAC Name: [(3,4-dimethoxy-5-oxo-1,2,4-triazole-1-carbonyl)amino] 2-methoxybenzenesulfinate Traditional Name: 2-methoxybenzenesulfinic acid [(5-keto-3,4-dimethoxy-1,2,4-triazole-1-carbonyl)amino] ester Formula: C12H14N4O7S MolecularWeight: 358.32716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1S(=O)ONC(=O)N2C(=O)N(C(=N2)OC)OC

Isomeric SMILES

COC1=CC=CC=C1S(=O)ONC(=O)N2C(=O)N(C(=N2)OC)OC

InChI

InChI=1S/C12H14N4O7S/c1-20-8-6-4-5-7-9(8)24(19)23-14-10(17)15-12(18)16(22-3)11(13-15)21-2/h4-7H,1-3H3,(H,14,17)