2-(3,3-dimethylbutylsulfanyl)pyridine-3-carboxylic acid

Systemtic Name: 2-(3,3-dimethylbutylsulfanyl)pyridine-3-carboxylic acid Openeye Name: 2-(3,3-dimethylbutylsulfanyl)pyridine-3-carboxylic acid CAS Name: 2-(3,3-dimethylbutylthio)-3-pyridinecarboxylic acid IUPAC Name: 2-(3,3-dimethylbutylsulfanyl)pyridine-3-carboxylic acid Traditional Name: 2-(3,3-dimethylbutylthio)nicotinic acid Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCSC1=C(C=CC=N1)C(=O)O

Isomeric SMILES

CC(C)(C)CCSC1=C(C=CC=N1)C(=O)O

InChI

InChI=1S/C12H17NO2S/c1-12(2,3)6-8-16-10-9(11(14)15)5-4-7-13-10/h4-5,7H,6,8H2,1-3H3,(H,14,15)