methyl 2-[[1-(4,6-dimethoxypyrimidin-2-yl)-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazol-4-yl]sulfamoyl]benzoate

Systemtic Name: methyl 2-[[1-(4,6-dimethoxypyrimidin-2-yl)-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazol-4-yl]sulfamoyl]benzoate Openeye Name: methyl 2-[[1-(4,6-dimethoxypyrimidin-2-yl)-3-methylsulfanyl-5-oxo-1,2,4-triazol-4-yl]sulfamoyl]benzoate CAS Name: 2-[[1-(4,6-dimethoxy-2-pyrimidinyl)-3-(methylthio)-5-oxo-1,2,4-triazol-4-yl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-(4,6-dimethoxypyrimidin-2-yl)-3-methylsulfanyl-5-oxo-1,2,4-triazol-4-yl]sulfamoyl]benzoate Traditional Name: 2-[[1-(4,6-dimethoxypyrimidin-2-yl)-5-keto-3-(methylthio)-1,2,4-triazol-4-yl]sulfamoyl]benzoic acid methyl ester Formula: C17H18N6O7S2 MolecularWeight: 482.49082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)N2C(=O)N(C(=N2)SC)NS(=O)(=O)C3=CC=CC=C3C(=O)OC)OC

Isomeric SMILES

COC1=CC(=NC(=N1)N2C(=O)N(C(=N2)SC)NS(=O)(=O)C3=CC=CC=C3C(=O)OC)OC

InChI

InChI=1S/C17H18N6O7S2/c1-28-12-9-13(29-2)19-15(18-12)22-17(25)23(16(20-22)31-4)21-32(26,27)11-8-6-5-7-10(11)14(24)30-3/h5-9,21H,1-4H3