2-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-keto-2-[3-(trifluoromethyl)anilino]ethyl]thio]nicotinic acid Formula: C15H11F3N2O3S MolecularWeight: 356.31965

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)O)C(F)(F)F

InChI

InChI=1S/C15H11F3N2O3S/c16-15(17,18)9-3-1-4-10(7-9)20-12(21)8-24-13-11(14(22)23)5-2-6-19-13/h1-7H,8H2,(H,20,21)(H,22,23)