6-(4-tert-butylphenyl)sulfanylpyridine-3-carboxylic acid

Systemtic Name: 6-(4-tert-butylphenyl)sulfanylpyridine-3-carboxylic acid Openeye Name: 6-(4-tert-butylphenyl)sulfanylpyridine-3-carboxylic acid CAS Name: 6-[(4-tert-butylphenyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 6-(4-tert-butylphenyl)sulfanylpyridine-3-carboxylic acid Traditional Name: 6-[(4-tert-butylphenyl)thio]nicotinic acid Formula: C16H17NO2S MolecularWeight: 287.37668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC2=NC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC2=NC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H17NO2S/c1-16(2,3)12-5-7-13(8-6-12)20-14-9-4-11(10-17-14)15(18)19/h4-10H,1-3H3,(H,18,19)