6-(4-tert-butylphenyl)sulfanyl-5-chloranyl-pyridine-3-carboxylic acid

Systemtic Name: 6-(4-tert-butylphenyl)sulfanyl-5-chloranyl-pyridine-3-carboxylic acid Openeye Name: 6-(4-tert-butylphenyl)sulfanyl-5-chloro-pyridine-3-carboxylic acid CAS Name: 6-[(4-tert-butylphenyl)thio]-5-chloro-3-pyridinecarboxylic acid IUPAC Name: 6-(4-tert-butylphenyl)sulfanyl-5-chloropyridine-3-carboxylic acid Traditional Name: 6-[(4-tert-butylphenyl)thio]-5-chloro-nicotinic acid Formula: C16H16ClNO2S MolecularWeight: 321.82174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC2=C(C=C(C=N2)C(=O)O)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC2=C(C=C(C=N2)C(=O)O)Cl

InChI

InChI=1S/C16H16ClNO2S/c1-16(2,3)11-4-6-12(7-5-11)21-14-13(17)8-10(9-18-14)15(19)20/h4-9H,1-3H3,(H,19,20)