[4-(trifluoromethyl)phenyl] 1-(diethylcarbamoyl)-1,2,4-triazole-3-sulfonate

Systemtic Name: [4-(trifluoromethyl)phenyl] 1-(diethylcarbamoyl)-1,2,4-triazole-3-sulfonate Openeye Name: [4-(trifluoromethyl)phenyl] 1-(diethylcarbamoyl)-1,2,4-triazole-3-sulfonate CAS Name: 1-[diethylamino(oxo)methyl]-1,2,4-triazole-3-sulfonic acid [4-(trifluoromethyl)phenyl] ester IUPAC Name: [4-(trifluoromethyl)phenyl] 1-(diethylcarbamoyl)-1,2,4-triazole-3-sulfonate Traditional Name: 1-(diethylcarbamoyl)-1,2,4-triazole-3-sulfonic acid [4-(trifluoromethyl)phenyl] ester Formula: C14H15F3N4O4S MolecularWeight: 392.35351

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)N1C=NC(=N1)S(=O)(=O)OC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCN(CC)C(=O)N1C=NC(=N1)S(=O)(=O)OC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C14H15F3N4O4S/c1-3-20(4-2)13(22)21-9-18-12(19-21)26(23,24)25-11-7-5-10(6-8-11)14(15,16)17/h5-9H,3-4H2,1-2H3