5-chloranyl-6-(2-methylpropylsulfanyl)pyridine-3-carboxylic acid

Systemtic Name: 5-chloranyl-6-(2-methylpropylsulfanyl)pyridine-3-carboxylic acid Openeye Name: 5-chloro-6-isobutylsulfanyl-pyridine-3-carboxylic acid CAS Name: 5-chloro-6-(2-methylpropylthio)-3-pyridinecarboxylic acid IUPAC Name: 5-chloro-6-(2-methylpropylsulfanyl)pyridine-3-carboxylic acid Traditional Name: 5-chloro-6-(isobutylthio)nicotinic acid Formula: C10H12ClNO2S MolecularWeight: 245.72578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12ClNO2S/c1-6(2)5-15-9-8(11)3-7(4-12-9)10(13)14/h3-4,6H,5H2,1-2H3,(H,13,14)