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

Systemtic Name: methyl 5-cyano-2-methyl-4-pyridin-4-yl-6-(pyridin-3-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H18N4O2S MolecularWeight: 378.44752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC2=CN=CC=C2)C#N)C3=CC=NC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC2=CN=CC=C2)C#N)C3=CC=NC=C3)C(=O)OC

InChI

InChI=1S/C20H18N4O2S/c1-13-17(20(25)26-2)18(15-5-8-22-9-6-15)16(10-21)19(24-13)27-12-14-4-3-7-23-11-14/h3-9,11,18,24H,12H2,1-2H3