(4-methylphenyl)methyl 2-[(4-methylphenyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: (4-methylphenyl)methyl 2-[(4-methylphenyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: p-tolylmethyl 2-(p-tolylmethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-[(4-methylphenyl)methylthio]-3-pyridinecarboxylic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 2-[(4-methylphenyl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(4-methylbenzyl)thio]nicotinic acid (4-methylbenzyl) ester Formula: C22H21NO2S MolecularWeight: 363.47264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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