4-(pyridin-3-ylsulfanylmethyl)benzoic acid

Systemtic Name: 4-(pyridin-3-ylsulfanylmethyl)benzoic acid Openeye Name: 4-(3-pyridylsulfanylmethyl)benzoic acid CAS Name: 4-[(3-pyridinylthio)methyl]benzoic acid IUPAC Name: 4-(pyridin-3-ylsulfanylmethyl)benzoic acid Traditional Name: 4-[(3-pyridylthio)methyl]benzoic acid Formula: C13H11NO2S MolecularWeight: 245.29694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)SCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)SCC2=CC=C(C=C2)C(=O)O

InChI

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