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

Systemtic Name: 6-[bis(fluoranyl)methyl]-5-butan-2-ylsulfanyl-4-methyl-2-(trifluoromethyl)pyridine-3-carboxylic acid Openeye Name: 6-(difluoromethyl)-4-methyl-5-sec-butylsulfanyl-2-(trifluoromethyl)pyridine-3-carboxylic acid CAS Name: 5-(butan-2-ylthio)-6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)-3-pyridinecarboxylic acid IUPAC Name: 5-butan-2-ylsulfanyl-6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyridine-3-carboxylic acid Traditional Name: 6-(difluoromethyl)-4-methyl-5-(sec-butylthio)-2-(trifluoromethyl)nicotinic acid Formula: C13H14F5NO2S MolecularWeight: 343.312776

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=C(N=C(C(=C1C)C(=O)O)C(F)(F)F)C(F)F

Isomeric SMILES

CCC(C)SC1=C(N=C(C(=C1C)C(=O)O)C(F)(F)F)C(F)F

InChI

InChI=1S/C13H14F5NO2S/c1-4-5(2)22-9-6(3)7(12(20)21)10(13(16,17)18)19-8(9)11(14)15/h5,11H,4H2,1-3H3,(H,20,21)