6-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxylic acid

Systemtic Name: 6-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxylic acid Openeye Name: 6-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxylic acid CAS Name: 6-(methylthio)-4-(trifluoromethyl)-3-pyridinecarboxylic acid IUPAC Name: 6-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxylic acid Traditional Name: 6-(methylthio)-4-(trifluoromethyl)nicotinic acid Formula: C8H6F3NO2S MolecularWeight: 237.19895

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=C1)C(F)(F)F)C(=O)O

Isomeric SMILES

CSC1=NC=C(C(=C1)C(F)(F)F)C(=O)O

InChI

InChI=1S/C8H6F3NO2S/c1-15-6-2-5(8(9,10)11)4(3-12-6)7(13)14/h2-3H,1H3,(H,13,14)