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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=C(C=C(C=N1)C(=O)O)Cl

Isomeric SMILES

CC(C)(C)SC1=C(C=C(C=N1)C(=O)O)Cl

InChI

InChI=1S/C10H12ClNO2S/c1-10(2,3)15-8-7(11)4-6(5-12-8)9(13)14/h4-5H,1-3H3,(H,13,14)