ethyl 5-cyano-2-methyl-4-pyridin-4-yl-6-(pyridin-3-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-4-pyridin-4-yl-6-(pyridin-3-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-4-(4-pyridyl)-6-(3-pyridylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-4-pyridin-4-yl-6-(3-pyridinylmethylthio)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-4-pyridin-4-yl-6-(pyridin-3-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-4-(4-pyridyl)-6-(3-pyridylmethylthio)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=NC=C2)C#N)SCC3=CN=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=NC=C2)C#N)SCC3=CN=CC=C3)C

InChI

InChI=1S/C21H20N4O2S/c1-3-27-21(26)18-14(2)25-20(28-13-15-5-4-8-24-12-15)17(11-22)19(18)16-6-9-23-10-7-16/h4-10,12,19,25H,3,13H2,1-2H3