6-methyl-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxylic acid

Systemtic Name: 6-methyl-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxylic acid Openeye Name: 6-methyl-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxylic acid CAS Name: 6-methyl-2-(methylthio)-4-(trifluoromethyl)-3-pyridinecarboxylic acid IUPAC Name: 6-methyl-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxylic acid Traditional Name: 6-methyl-2-(methylthio)-4-(trifluoromethyl)nicotinic acid Formula: C9H8F3NO2S MolecularWeight: 251.22553

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C(F)(F)F)C(=O)O)SC

Isomeric SMILES

CC1=NC(=C(C(=C1)C(F)(F)F)C(=O)O)SC

InChI

InChI=1S/C9H8F3NO2S/c1-4-3-5(9(10,11)12)6(8(14)15)7(13-4)16-2/h3H,1-2H3,(H,14,15)