5-fluoranyl-2-(pyridin-4-ylmethylsulfanyl)benzoic acid

Systemtic Name: 5-fluoranyl-2-(pyridin-4-ylmethylsulfanyl)benzoic acid Openeye Name: 5-fluoro-2-(4-pyridylmethylsulfanyl)benzoic acid CAS Name: 5-fluoro-2-(pyridin-4-ylmethylthio)benzoic acid IUPAC Name: 5-fluoro-2-(pyridin-4-ylmethylsulfanyl)benzoic acid Traditional Name: 5-fluoro-2-(4-pyridylmethylthio)benzoic acid Formula: C13H10FNO2S MolecularWeight: 263.287403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)C(=O)O)SCC2=CC=NC=C2

Isomeric SMILES

C1=CC(=C(C=C1F)C(=O)O)SCC2=CC=NC=C2

InChI

InChI=1S/C13H10FNO2S/c14-10-1-2-12(11(7-10)13(16)17)18-8-9-3-5-15-6-4-9/h1-7H,8H2,(H,16,17)