5-phenylsulfanylpyridine-3-carboxylic acid

Systemtic Name: 5-phenylsulfanylpyridine-3-carboxylic acid Openeye Name: 5-phenylsulfanylpyridine-3-carboxylic acid CAS Name: 5-(phenylthio)-3-pyridinecarboxylic acid IUPAC Name: 5-phenylsulfanylpyridine-3-carboxylic acid Traditional Name: 5-(phenylthio)nicotinic acid Formula: C12H9NO2S MolecularWeight: 231.27036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CN=CC(=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=CN=CC(=C2)C(=O)O

InChI

InChI=1S/C12H9NO2S/c14-12(15)9-6-11(8-13-7-9)16-10-4-2-1-3-5-10/h1-8H,(H,14,15)