methyl 4-[(3-ethyl-4-methoxy-5-sulfanylidene-1,2,4-triazol-1-yl)carbonylsulfamoyl]-5-(trifluoromethyl)thiophene-3-carboxylate

Systemtic Name: methyl 4-[(3-ethyl-4-methoxy-5-sulfanylidene-1,2,4-triazol-1-yl)carbonylsulfamoyl]-5-(trifluoromethyl)thiophene-3-carboxylate Openeye Name: methyl 4-[(3-ethyl-4-methoxy-5-thioxo-1,2,4-triazole-1-carbonyl)sulfamoyl]-5-(trifluoromethyl)thiophene-3-carboxylate CAS Name: 4-[[(3-ethyl-4-methoxy-5-sulfanylidene-1,2,4-triazol-1-yl)-oxomethyl]sulfamoyl]-5-(trifluoromethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-[(3-ethyl-4-methoxy-5-sulfanylidene-1,2,4-triazole-1-carbonyl)sulfamoyl]-5-(trifluoromethyl)thiophene-3-carboxylate Traditional Name: 4-[(3-ethyl-4-methoxy-5-thioxo-1,2,4-triazole-1-carbonyl)sulfamoyl]-5-(trifluoromethyl)thiophene-3-carboxylic acid methyl ester Formula: C13H13F3N4O6S3 MolecularWeight: 474.45573

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=S)N1OC)C(=O)NS(=O)(=O)C2=C(SC=C2C(=O)OC)C(F)(F)F

Isomeric SMILES

CCC1=NN(C(=S)N1OC)C(=O)NS(=O)(=O)C2=C(SC=C2C(=O)OC)C(F)(F)F

InChI

InChI=1S/C13H13F3N4O6S3/c1-4-7-17-19(12(27)20(7)26-3)11(22)18-29(23,24)8-6(10(21)25-2)5-28-9(8)13(14,15)16/h5H,4H2,1-3H3,(H,18,22)