2-(2-methylpropylsulfanyl)pyridine-4-carboxylic acid

Systemtic Name: 2-(2-methylpropylsulfanyl)pyridine-4-carboxylic acid Openeye Name: 2-isobutylsulfanylpyridine-4-carboxylic acid CAS Name: 2-(2-methylpropylthio)-4-pyridinecarboxylic acid IUPAC Name: 2-(2-methylpropylsulfanyl)pyridine-4-carboxylic acid Traditional Name: 2-(isobutylthio)isonicotinic acid Formula: C10H13NO2S MolecularWeight: 211.28072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC=CC(=C1)C(=O)O

Isomeric SMILES

CC(C)CSC1=NC=CC(=C1)C(=O)O

InChI

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