6-[bis(fluoranyl)methyl]-4-methyl-5-propan-2-ylsulfanyl-2-(trifluoromethyl)pyridine-3-carboxylic acid

Systemtic Name: 6-[bis(fluoranyl)methyl]-4-methyl-5-propan-2-ylsulfanyl-2-(trifluoromethyl)pyridine-3-carboxylic acid Openeye Name: 6-(difluoromethyl)-5-isopropylsulfanyl-4-methyl-2-(trifluoromethyl)pyridine-3-carboxylic acid CAS Name: 6-(difluoromethyl)-4-methyl-5-(propan-2-ylthio)-2-(trifluoromethyl)-3-pyridinecarboxylic acid IUPAC Name: 6-(difluoromethyl)-4-methyl-5-propan-2-ylsulfanyl-2-(trifluoromethyl)pyridine-3-carboxylic acid Traditional Name: 6-(difluoromethyl)-5-(isopropylthio)-4-methyl-2-(trifluoromethyl)nicotinic acid Formula: C12H12F5NO2S MolecularWeight: 329.286196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1SC(C)C)C(F)F)C(F)(F)F)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=C1SC(C)C)C(F)F)C(F)(F)F)C(=O)O

InChI

InChI=1S/C12H12F5NO2S/c1-4(2)21-8-5(3)6(11(19)20)9(12(15,16)17)18-7(8)10(13)14/h4,10H,1-3H3,(H,19,20)