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

Systemtic Name: 6-[bis(fluoranyl)methyl]-4-methyl-5-phenylsulfanyl-2-(trifluoromethyl)pyridine-3-carboxylic acid Openeye Name: 6-(difluoromethyl)-4-methyl-5-phenylsulfanyl-2-(trifluoromethyl)pyridine-3-carboxylic acid CAS Name: 6-(difluoromethyl)-4-methyl-5-(phenylthio)-2-(trifluoromethyl)-3-pyridinecarboxylic acid IUPAC Name: 6-(difluoromethyl)-4-methyl-5-phenylsulfanyl-2-(trifluoromethyl)pyridine-3-carboxylic acid Traditional Name: 6-(difluoromethyl)-4-methyl-5-(phenylthio)-2-(trifluoromethyl)nicotinic acid Formula: C15H10F5NO2S MolecularWeight: 363.302416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1SC2=CC=CC=C2)C(F)F)C(F)(F)F)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=C1SC2=CC=CC=C2)C(F)F)C(F)(F)F)C(=O)O

InChI

InChI=1S/C15H10F5NO2S/c1-7-9(14(22)23)12(15(18,19)20)21-10(13(16)17)11(7)24-8-5-3-2-4-6-8/h2-6,13H,1H3,(H,22,23)