2-(3-cyanopyridin-2-yl)sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-(3-cyanopyridin-2-yl)sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[(3-cyano-2-pyridyl)sulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(3-cyano-2-pyridinyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(3-cyanopyridin-2-yl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(3-cyano-2-pyridyl)thio]nicotinic acid Formula: C12H7N3O2S MolecularWeight: 257.26788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SC2=C(C=CC=N2)C(=O)O)C#N

Isomeric SMILES

C1=CC(=C(N=C1)SC2=C(C=CC=N2)C(=O)O)C#N

InChI

InChI=1S/C12H7N3O2S/c13-7-8-3-1-5-14-10(8)18-11-9(12(16)17)4-2-6-15-11/h1-6H,(H,16,17)