(3-methylphenyl)methyl 2-[(3-methylphenyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: (3-methylphenyl)methyl 2-[(3-methylphenyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: m-tolylmethyl 2-(m-tolylmethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-[(3-methylphenyl)methylthio]-3-pyridinecarboxylic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl 2-[(3-methylphenyl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(3-methylbenzyl)thio]nicotinic acid (3-methylbenzyl) ester Formula: C22H21NO2S MolecularWeight: 363.47264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC(=O)C2=C(N=CC=C2)SCC3=CC=CC(=C3)C

Isomeric SMILES

CC1=CC(=CC=C1)COC(=O)C2=C(N=CC=C2)SCC3=CC=CC(=C3)C

InChI

InChI=1S/C22H21NO2S/c1-16-6-3-8-18(12-16)14-25-22(24)20-10-5-11-23-21(20)26-15-19-9-4-7-17(2)13-19/h3-13H,14-15H2,1-2H3