5-propan-2-ylsulfanylpyridine-3-carboxylic acid

Systemtic Name: 5-propan-2-ylsulfanylpyridine-3-carboxylic acid Openeye Name: 5-isopropylsulfanylpyridine-3-carboxylic acid CAS Name: 5-(propan-2-ylthio)-3-pyridinecarboxylic acid IUPAC Name: 5-propan-2-ylsulfanylpyridine-3-carboxylic acid Traditional Name: 5-(isopropylthio)nicotinic acid Formula: C9H11NO2S MolecularWeight: 197.25414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CN=CC(=C1)C(=O)O

Isomeric SMILES

CC(C)SC1=CN=CC(=C1)C(=O)O

InChI

InChI=1S/C9H11NO2S/c1-6(2)13-8-3-7(9(11)12)4-10-5-8/h3-6H,1-2H3,(H,11,12)