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

Systemtic Name: ethyl 5-cyano-6-[(2-cyanophenyl)methylsulfanyl]-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[(2-cyanophenyl)methylsulfanyl]-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[(2-cyanophenyl)methylthio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[(2-cyanophenyl)methylsulfanyl]-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[(2-cyanobenzyl)thio]-2-methyl-nicotinic acid ethyl ester Formula: C18H15N3O2S MolecularWeight: 337.3956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O2S/c1-3-23-18(22)16-8-15(10-20)17(21-12(16)2)24-11-14-7-5-4-6-13(14)9-19/h4-8H,3,11H2,1-2H3