2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(2,3-difluorophenyl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(2,3-difluorophenyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(2,3-difluorophenyl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(2,3-difluorobenzyl)thio]nicotinic acid Formula: C13H9F2NO2S MolecularWeight: 281.277866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9F2NO2S/c14-10-5-1-3-8(11(10)15)7-19-12-9(13(17)18)4-2-6-16-12/h1-6H,7H2,(H,17,18)