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

Systemtic Name: 6-[bis(fluoranyl)methyl]-4-ethyl-5-phenylsulfanyl-2-(trifluoromethyl)pyridine-3-carboxylic acid Openeye Name: 6-(difluoromethyl)-4-ethyl-5-phenylsulfanyl-2-(trifluoromethyl)pyridine-3-carboxylic acid CAS Name: 6-(difluoromethyl)-4-ethyl-5-(phenylthio)-2-(trifluoromethyl)-3-pyridinecarboxylic acid IUPAC Name: 6-(difluoromethyl)-4-ethyl-5-phenylsulfanyl-2-(trifluoromethyl)pyridine-3-carboxylic acid Traditional Name: 6-(difluoromethyl)-4-ethyl-5-(phenylthio)-2-(trifluoromethyl)nicotinic acid Formula: C16H12F5NO2S MolecularWeight: 377.328996

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=C1SC2=CC=CC=C2)C(F)F)C(F)(F)F)C(=O)O

Isomeric SMILES

CCC1=C(C(=NC(=C1SC2=CC=CC=C2)C(F)F)C(F)(F)F)C(=O)O

InChI

InChI=1S/C16H12F5NO2S/c1-2-9-10(15(23)24)13(16(19,20)21)22-11(14(17)18)12(9)25-8-6-4-3-5-7-8/h3-7,14H,2H2,1H3,(H,23,24)