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

Systemtic Name: methyl 2-[(4-methyl-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazol-1-yl)carbonylsulfamoyl]benzoate Openeye Name: methyl 2-[(4-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]benzoate CAS Name: 2-[[[4-methyl-3-(methylthio)-5-oxo-1,2,4-triazol-1-yl]-oxomethyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]benzoate Traditional Name: 2-[[5-keto-4-methyl-3-(methylthio)-1,2,4-triazole-1-carbonyl]sulfamoyl]benzoic acid methyl ester Formula: C13H14N4O6S2 MolecularWeight: 386.40346

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)SC

Isomeric SMILES

CN1C(=NN(C1=O)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)SC

InChI

InChI=1S/C13H14N4O6S2/c1-16-12(24-3)14-17(13(16)20)11(19)15-25(21,22)9-7-5-4-6-8(9)10(18)23-2/h4-7H,1-3H3,(H,15,19)