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

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

Isomeric SMILES

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

InChI

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