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

Systemtic Name: methyl 5-cyano-2-methyl-4-phenyl-6-(pyridin-3-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 5-cyano-2-methyl-4-phenyl-6-(3-pyridylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-4-phenyl-6-(3-pyridinylmethylthio)-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-2-methyl-4-phenyl-6-(pyridin-3-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-4-phenyl-6-(3-pyridylmethylthio)-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O2S/c1-14-18(21(25)26-2)19(16-8-4-3-5-9-16)17(11-22)20(24-14)27-13-15-7-6-10-23-12-15/h3-10,12,19,24H,13H2,1-2H3