2-[(6-chloranylpyridin-3-yl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(6-chloranylpyridin-3-yl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(6-chloro-3-pyridyl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(6-chloro-3-pyridinyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(6-chloropyridin-3-yl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(6-chloro-3-pyridyl)methylthio]nicotinic acid Formula: C12H9ClN2O2S MolecularWeight: 280.73006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9ClN2O2S/c13-10-4-3-8(6-15-10)7-18-11-9(12(16)17)2-1-5-14-11/h1-6H,7H2,(H,16,17)