3-(pyridin-4-ylmethylsulfanyl)pyridine-2-carboxylic acid

Systemtic Name: 3-(pyridin-4-ylmethylsulfanyl)pyridine-2-carboxylic acid Openeye Name: 3-(4-pyridylmethylsulfanyl)pyridine-2-carboxylic acid CAS Name: 3-(pyridin-4-ylmethylthio)-2-pyridinecarboxylic acid IUPAC Name: 3-(pyridin-4-ylmethylsulfanyl)pyridine-2-carboxylic acid Traditional Name: 3-(4-pyridylmethylthio)picolinic acid Formula: C12H10N2O2S MolecularWeight: 246.285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)C(=O)O)SCC2=CC=NC=C2

Isomeric SMILES

C1=CC(=C(N=C1)C(=O)O)SCC2=CC=NC=C2

InChI

InChI=1S/C12H10N2O2S/c15-12(16)11-10(2-1-5-14-11)17-8-9-3-6-13-7-4-9/h1-7H,8H2,(H,15,16)