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

Systemtic Name: methyl 5-cyano-2-methyl-4-pyridin-3-yl-6-(pyridin-3-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 5-cyano-2-methyl-4-(3-pyridyl)-6-(3-pyridylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-4-(3-pyridinyl)-6-(3-pyridinylmethylthio)-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-2-methyl-4-pyridin-3-yl-6-(pyridin-3-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-4-(3-pyridyl)-6-(3-pyridylmethylthio)-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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