methyl 2-[(4-methyl-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazin-6-yl)carbamoylsulfamoyl]benzoate

Systemtic Name: methyl 2-[(4-methyl-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazin-6-yl)carbamoylsulfamoyl]benzoate Openeye Name: methyl 2-[(4-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-6-yl)carbamoylsulfamoyl]benzoate CAS Name: 2-[[[[4-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-6-yl]amino]-oxomethyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-6-yl)carbamoylsulfamoyl]benzoate Traditional Name: 2-[[5-keto-4-methyl-3-(methylthio)-1,2,4-triazin-6-yl]carbamoylsulfamoyl]benzoic acid methyl ester Formula: C14H15N5O6S2 MolecularWeight: 413.4288

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=NN=C1SC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC

Isomeric SMILES

CN1C(=O)C(=NN=C1SC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C14H15N5O6S2/c1-19-11(20)10(16-17-14(19)26-3)15-13(22)18-27(23,24)9-7-5-4-6-8(9)12(21)25-2/h4-7H,1-3H3,(H2,15,16,18,22)