4-(phenylmethylsulfanyl)pyridine-3-carboxylic acid

Systemtic Name: 4-(phenylmethylsulfanyl)pyridine-3-carboxylic acid Openeye Name: 4-benzylsulfanylpyridine-3-carboxylic acid CAS Name: 4-(phenylmethylthio)-3-pyridinecarboxylic acid IUPAC Name: 4-benzylsulfanylpyridine-3-carboxylic acid Traditional Name: 4-(benzylthio)nicotinic acid Formula: C13H11NO2S MolecularWeight: 245.29694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=NC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=NC=C2)C(=O)O

InChI

InChI=1S/C13H11NO2S/c15-13(16)11-8-14-7-6-12(11)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,15,16)