methyl 4-[(3-ethoxy-4-methyl-5-oxidanylidene-1,2,4-triazol-1-yl)carbothioylsulfamoyl]-5-fluoranyl-thiophene-3-carboxylate

Systemtic Name: methyl 4-[(3-ethoxy-4-methyl-5-oxidanylidene-1,2,4-triazol-1-yl)carbothioylsulfamoyl]-5-fluoranyl-thiophene-3-carboxylate Openeye Name: methyl 4-[(3-ethoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbothioyl)sulfamoyl]-5-fluoro-thiophene-3-carboxylate CAS Name: 4-[[(3-ethoxy-4-methyl-5-oxo-1,2,4-triazol-1-yl)-sulfanylidenemethyl]sulfamoyl]-5-fluoro-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-[(3-ethoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbothioyl)sulfamoyl]-5-fluorothiophene-3-carboxylate Traditional Name: 4-[(3-ethoxy-5-keto-4-methyl-1,2,4-triazole-1-carbothioyl)sulfamoyl]-5-fluoro-thiophene-3-carboxylic acid methyl ester Formula: C12H13FN4O6S3 MolecularWeight: 424.448223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C(=O)N1C)C(=S)NS(=O)(=O)C2=C(SC=C2C(=O)OC)F

Isomeric SMILES

CCOC1=NN(C(=O)N1C)C(=S)NS(=O)(=O)C2=C(SC=C2C(=O)OC)F

InChI

InChI=1S/C12H13FN4O6S3/c1-4-23-10-14-17(12(19)16(10)2)11(24)15-26(20,21)7-6(9(18)22-3)5-25-8(7)13/h5H,4H2,1-3H3,(H,15,24)