ethyl 5-cyano-6-ethylsulfanyl-2-phenyl-4-pyridin-4-yl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-ethylsulfanyl-2-phenyl-4-pyridin-4-yl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-ethylsulfanyl-2-phenyl-4-(4-pyridyl)pyridine-3-carboxylate CAS Name: 5-cyano-6-(ethylthio)-2-phenyl-4-pyridin-4-yl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-ethylsulfanyl-2-phenyl-4-pyridin-4-ylpyridine-3-carboxylate Traditional Name: 5-cyano-6-(ethylthio)-2-phenyl-4-(4-pyridyl)nicotinic acid ethyl ester Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1C2=CC=NC=C2)C#N)SCC)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1C2=CC=NC=C2)C#N)SCC)C3=CC=CC=C3

InChI

InChI=1S/C22H19N3O2S/c1-3-27-22(26)19-18(15-10-12-24-13-11-15)17(14-23)21(28-4-2)25-20(19)16-8-6-5-7-9-16/h5-13H,3-4H2,1-2H3