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

Systemtic Name: 4-azanyl-2-[bis(fluoranyl)methyl]-5-methylsulfanylcarbonyl-6-(trifluoromethyl)pyridine-3-carboxylic acid Openeye Name: 4-amino-2-(difluoromethyl)-5-methylsulfanylcarbonyl-6-(trifluoromethyl)pyridine-3-carboxylic acid CAS Name: 4-amino-2-(difluoromethyl)-5-[(methylthio)-oxomethyl]-6-(trifluoromethyl)-3-pyridinecarboxylic acid IUPAC Name: 4-amino-2-(difluoromethyl)-5-methylsulfanylcarbonyl-6-(trifluoromethyl)pyridine-3-carboxylic acid Traditional Name: 4-amino-2-(difluoromethyl)-5-(methylthio)carbonyl-6-(trifluoromethyl)nicotinic acid Formula: C10H7F5N2O3S MolecularWeight: 330.231196

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=O)C1=C(N=C(C(=C1N)C(=O)O)C(F)F)C(F)(F)F

Isomeric SMILES

CSC(=O)C1=C(N=C(C(=C1N)C(=O)O)C(F)F)C(F)(F)F

InChI

InChI=1S/C10H7F5N2O3S/c1-21-9(20)3-4(16)2(8(18)19)5(7(11)12)17-6(3)10(13,14)15/h7H,1H3,(H2,16,17)(H,18,19)