6-butylsulfanyl-5-chloranyl-pyridine-3-carboxylic acid

Systemtic Name: 6-butylsulfanyl-5-chloranyl-pyridine-3-carboxylic acid Openeye Name: 6-butylsulfanyl-5-chloro-pyridine-3-carboxylic acid CAS Name: 6-(butylthio)-5-chloro-3-pyridinecarboxylic acid IUPAC Name: 6-butylsulfanyl-5-chloropyridine-3-carboxylic acid Traditional Name: 6-(butylthio)-5-chloro-nicotinic acid Formula: C10H12ClNO2S MolecularWeight: 245.72578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C=C(C=N1)C(=O)O)Cl

Isomeric SMILES

CCCCSC1=C(C=C(C=N1)C(=O)O)Cl

InChI

InChI=1S/C10H12ClNO2S/c1-2-3-4-15-9-8(11)5-7(6-12-9)10(13)14/h5-6H,2-4H2,1H3,(H,13,14)