4-(3-cyanopyridin-2-yl)sulfanylbenzoic acid

Systemtic Name: 4-(3-cyanopyridin-2-yl)sulfanylbenzoic acid Openeye Name: 4-[(3-cyano-2-pyridyl)sulfanyl]benzoic acid CAS Name: 4-[(3-cyano-2-pyridinyl)thio]benzoic acid IUPAC Name: 4-(3-cyanopyridin-2-yl)sulfanylbenzoic acid Traditional Name: 4-[(3-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(=C(N=C1)SC2=CC=C(C=C2)C(=O)O)C#N

Isomeric SMILES

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

InChI

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