4-(4-cyanopyridin-2-yl)sulfanylbenzoic acid

Systemtic Name: 4-(4-cyanopyridin-2-yl)sulfanylbenzoic acid Openeye Name: 4-[(4-cyano-2-pyridyl)sulfanyl]benzoic acid CAS Name: 4-[(4-cyano-2-pyridinyl)thio]benzoic acid IUPAC Name: 4-(4-cyanopyridin-2-yl)sulfanylbenzoic acid Traditional Name: 4-[(4-cyano-2-pyridyl)thio]benzoic acid Formula: C13H8N2O2S MolecularWeight: 256.27982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)SC2=NC=CC(=C2)C#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)SC2=NC=CC(=C2)C#N

InChI

InChI=1S/C13H8N2O2S/c14-8-9-5-6-15-12(7-9)18-11-3-1-10(2-4-11)13(16)17/h1-7H,(H,16,17)