6-(2-methylpropylsulfanyl)pyridine-3-carboxylic acid

Systemtic Name: 6-(2-methylpropylsulfanyl)pyridine-3-carboxylic acid Openeye Name: 6-isobutylsulfanylpyridine-3-carboxylic acid CAS Name: 6-(2-methylpropylthio)-3-pyridinecarboxylic acid IUPAC Name: 6-(2-methylpropylsulfanyl)pyridine-3-carboxylic acid Traditional Name: 6-(isobutylthio)nicotinic acid Formula: C10H13NO2S MolecularWeight: 211.28072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)CSC1=NC=C(C=C1)C(=O)O

InChI

InChI=1S/C10H13NO2S/c1-7(2)6-14-9-4-3-8(5-11-9)10(12)13/h3-5,7H,6H2,1-2H3,(H,12,13)