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

Systemtic Name: methyl 2-[[3-(2-fluoranylethylsulfanyl)-4-methyl-5-oxidanylidene-1,2,4-triazol-1-yl]carbonylsulfamoyl]benzoate Openeye Name: methyl 2-[[3-(2-fluoroethylsulfanyl)-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl]sulfamoyl]benzoate CAS Name: 2-[[[3-(2-fluoroethylthio)-4-methyl-5-oxo-1,2,4-triazol-1-yl]-oxomethyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-(2-fluoroethylsulfanyl)-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl]sulfamoyl]benzoate Traditional Name: 2-[[3-(2-fluoroethylthio)-5-keto-4-methyl-1,2,4-triazole-1-carbonyl]sulfamoyl]benzoic acid methyl ester Formula: C14H15FN4O6S2 MolecularWeight: 418.420503

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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)SCCF

Isomeric SMILES

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

InChI

InChI=1S/C14H15FN4O6S2/c1-18-13(26-8-7-15)16-19(14(18)22)12(21)17-27(23,24)10-6-4-3-5-9(10)11(20)25-2/h3-6H,7-8H2,1-2H3,(H,17,21)