2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]nicotinic acid Formula: C13H9ClFNO2S MolecularWeight: 297.732463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9ClFNO2S/c14-10-4-1-5-11(15)9(10)7-19-12-8(13(17)18)3-2-6-16-12/h1-6H,7H2,(H,17,18)