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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=C(C=CC=N1)C(=O)O

Isomeric SMILES

CC(C)CSC1=C(C=CC=N1)C(=O)O

InChI

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