6-butan-2-ylsulfanyl-5-chloranyl-pyridine-3-carboxylic acid

Systemtic Name: 6-butan-2-ylsulfanyl-5-chloranyl-pyridine-3-carboxylic acid Openeye Name: 5-chloro-6-sec-butylsulfanyl-pyridine-3-carboxylic acid CAS Name: 6-(butan-2-ylthio)-5-chloro-3-pyridinecarboxylic acid IUPAC Name: 6-butan-2-ylsulfanyl-5-chloropyridine-3-carboxylic acid Traditional Name: 5-chloro-6-(sec-butylthio)nicotinic acid Formula: C10H12ClNO2S MolecularWeight: 245.72578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=C(C=C(C=N1)C(=O)O)Cl

Isomeric SMILES

CCC(C)SC1=C(C=C(C=N1)C(=O)O)Cl

InChI

InChI=1S/C10H12ClNO2S/c1-3-6(2)15-9-8(11)4-7(5-12-9)10(13)14/h4-6H,3H2,1-2H3,(H,13,14)