sodium [5-[4-(trifluoromethyl)pyridin-3-yl]-1,2,4-oxadiazol-3-yl]methanesulfonate

Systemtic Name: sodium [5-[4-(trifluoromethyl)pyridin-3-yl]-1,2,4-oxadiazol-3-yl]methanesulfonate Openeye Name: sodium [5-[4-(trifluoromethyl)-3-pyridyl]-1,2,4-oxadiazol-3-yl]methanesulfonate CAS Name: sodium [5-[4-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]methanesulfonate IUPAC Name: sodium [5-[4-(trifluoromethyl)pyridin-3-yl]-1,2,4-oxadiazol-3-yl]methanesulfonate Traditional Name: sodium [5-[4-(trifluoromethyl)-3-pyridyl]-1,2,4-oxadiazol-3-yl]methanesulfonate Formula: C9H5F3N3NaO4S MolecularWeight: 331.20368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC(=C1C(F)(F)F)C2=NC(=NO2)CS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CN=CC(=C1C(F)(F)F)C2=NC(=NO2)CS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C9H6F3N3O4S.Na/c10-9(11,12)6-1-2-13-3-5(6)8-14-7(15-19-8)4-20(16,17)18;/h1-3H,4H2,(H,16,17,18);/q;+1/p-1