5-chloranyl-6-propylsulfanyl-pyridine-3-carboxylate

Systemtic Name: 5-chloranyl-6-propylsulfanyl-pyridine-3-carboxylate Openeye Name: 5-chloro-6-propylsulfanyl-pyridine-3-carboxylate CAS Name: 5-chloro-6-(propylthio)-3-pyridinecarboxylate IUPAC Name: 5-chloro-6-propylsulfanylpyridine-3-carboxylate Traditional Name: 5-chloro-6-(propylthio)nicotinate Formula: C9H9ClNO2S- MolecularWeight: 230.69126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=C(C=N1)C(=O)[O-])Cl

Isomeric SMILES

CCCSC1=C(C=C(C=N1)C(=O)[O-])Cl

InChI

InChI=1S/C9H10ClNO2S/c1-2-3-14-8-7(10)4-6(5-11-8)9(12)13/h4-5H,2-3H2,1H3,(H,12,13)/p-1