2-[[3-(trifluoromethylsulfanyl)phenyl]amino]pyridine-3-carboxylic acid

Systemtic Name: 2-[[3-(trifluoromethylsulfanyl)phenyl]amino]pyridine-3-carboxylic acid Openeye Name: 2-[3-(trifluoromethylsulfanyl)anilino]pyridine-3-carboxylic acid CAS Name: 2-[3-(trifluoromethylthio)anilino]-3-pyridinecarboxylic acid IUPAC Name: 2-[3-(trifluoromethylsulfanyl)anilino]pyridine-3-carboxylic acid Traditional Name: 2-[3-(trifluoromethylthio)anilino]nicotinic acid Formula: C13H9F3N2O2S MolecularWeight: 314.28297

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9F3N2O2S/c14-13(15,16)21-9-4-1-3-8(7-9)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)