4-ethyl-5-(trifluoromethyl)-1,2,4-triazole-3-sulfonic acid

Systemtic Name: 4-ethyl-5-(trifluoromethyl)-1,2,4-triazole-3-sulfonic acid Openeye Name: 4-ethyl-5-(trifluoromethyl)-1,2,4-triazole-3-sulfonic acid CAS Name: 4-ethyl-5-(trifluoromethyl)-1,2,4-triazole-3-sulfonic acid IUPAC Name: 4-ethyl-5-(trifluoromethyl)-1,2,4-triazole-3-sulfonic acid Traditional Name: 4-ethyl-5-(trifluoromethyl)-1,2,4-triazole-3-sulfonic acid Formula: C5H6F3N3O3S MolecularWeight: 245.17965

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1S(=O)(=O)O)C(F)(F)F

Isomeric SMILES

CCN1C(=NN=C1S(=O)(=O)O)C(F)(F)F

InChI

InChI=1S/C5H6F3N3O3S/c1-2-11-3(5(6,7)8)9-10-4(11)15(12,13)14/h2H2,1H3,(H,12,13,14)