2-pentylsulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-pentylsulfanylpyridine-3-carboxylic acid Openeye Name: 2-pentylsulfanylpyridine-3-carboxylic acid CAS Name: 2-(pentylthio)-3-pyridinecarboxylic acid IUPAC Name: 2-pentylsulfanylpyridine-3-carboxylic acid Traditional Name: 2-(amylthio)nicotinic acid Formula: C11H15NO2S MolecularWeight: 225.3073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C=CC=N1)C(=O)O

Isomeric SMILES

CCCCCSC1=C(C=CC=N1)C(=O)O

InChI

InChI=1S/C11H15NO2S/c1-2-3-4-8-15-10-9(11(13)14)6-5-7-12-10/h5-7H,2-4,8H2,1H3,(H,13,14)