ethyl 5-cyano-2-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-(o-tolylmethylsulfanyl)pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[(2-methylphenyl)methylthio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-[(2-methylbenzyl)thio]nicotinic acid ethyl ester Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=CC=CC=C2C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=CC=CC=C2C)C

InChI

InChI=1S/C18H18N2O2S/c1-4-22-18(21)16-9-15(10-19)17(20-13(16)3)23-11-14-8-6-5-7-12(14)2/h5-9H,4,11H2,1-3H3