5-(1-methylsulfanylethyl)-2-(trifluoromethyl)pyridine-3-carboxylic acid

Systemtic Name: 5-(1-methylsulfanylethyl)-2-(trifluoromethyl)pyridine-3-carboxylic acid Openeye Name: 5-(1-methylsulfanylethyl)-2-(trifluoromethyl)pyridine-3-carboxylic acid CAS Name: 5-[1-(methylthio)ethyl]-2-(trifluoromethyl)-3-pyridinecarboxylic acid IUPAC Name: 5-(1-methylsulfanylethyl)-2-(trifluoromethyl)pyridine-3-carboxylic acid Traditional Name: 5-[1-(methylthio)ethyl]-2-(trifluoromethyl)nicotinic acid Formula: C10H10F3NO2S MolecularWeight: 265.25211

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=C(C(=C1)C(=O)O)C(F)(F)F)SC

Isomeric SMILES

CC(C1=CN=C(C(=C1)C(=O)O)C(F)(F)F)SC

InChI

InChI=1S/C10H10F3NO2S/c1-5(17-2)6-3-7(9(15)16)8(14-4-6)10(11,12)13/h3-5H,1-2H3,(H,15,16)