6-(4-tert-butylphenyl)sulfanyl-3-chloranyl-pyridine-2-carboxylic acid

Systemtic Name: 6-(4-tert-butylphenyl)sulfanyl-3-chloranyl-pyridine-2-carboxylic acid Openeye Name: 6-(4-tert-butylphenyl)sulfanyl-3-chloro-pyridine-2-carboxylic acid CAS Name: 6-[(4-tert-butylphenyl)thio]-3-chloro-2-pyridinecarboxylic acid IUPAC Name: 6-(4-tert-butylphenyl)sulfanyl-3-chloropyridine-2-carboxylic acid Traditional Name: 6-[(4-tert-butylphenyl)thio]-3-chloro-picolinic 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=NC(=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC2=NC(=C(C=C2)Cl)C(=O)O

InChI

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