2-[(3,5-dimethylphenyl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(3,5-dimethylphenyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(3,5-dimethylbenzyl)thio]nicotinic acid Formula: C15H15NO2S MolecularWeight: 273.3501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CSC2=C(C=CC=N2)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)CSC2=C(C=CC=N2)C(=O)O)C

InChI

InChI=1S/C15H15NO2S/c1-10-6-11(2)8-12(7-10)9-19-14-13(15(17)18)4-3-5-16-14/h3-8H,9H2,1-2H3,(H,17,18)