ethyl 5-cyano-2-methyl-6-(naphthalen-1-ylmethylsulfanyl)pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-(naphthalen-1-ylmethylsulfanyl)pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-(1-naphthylmethylsulfanyl)pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-(1-naphthalenylmethylthio)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-(naphthalen-1-ylmethylsulfanyl)pyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-(1-naphthylmethylthio)nicotinic acid ethyl ester Formula: C21H18N2O2S MolecularWeight: 362.44482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=CC=CC3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=CC=CC3=CC=CC=C32)C

InChI

InChI=1S/C21H18N2O2S/c1-3-25-21(24)19-11-17(12-22)20(23-14(19)2)26-13-16-9-6-8-15-7-4-5-10-18(15)16/h4-11H,3,13H2,1-2H3