2-[[3-(trifluoromethyl)phenyl]carbothioylamino]pyridine-3-carboxylic acid

Systemtic Name: 2-[[3-(trifluoromethyl)phenyl]carbothioylamino]pyridine-3-carboxylic acid Openeye Name: 2-[[3-(trifluoromethyl)benzenecarbothioyl]amino]pyridine-3-carboxylic acid CAS Name: 2-[[sulfanylidene-[3-(trifluoromethyl)phenyl]methyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 2-[[3-(trifluoromethyl)benzenecarbothioyl]amino]pyridine-3-carboxylic acid Traditional Name: 2-[[3-(trifluoromethyl)thiobenzoyl]amino]nicotinic acid Formula: C14H9F3N2O2S MolecularWeight: 326.29367

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C(=S)NC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C(=S)NC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C14H9F3N2O2S/c15-14(16,17)9-4-1-3-8(7-9)12(22)19-11-10(13(20)21)5-2-6-18-11/h1-7H,(H,20,21)(H,18,19,22)