5-cyano-2-methyl-N,4-diphenyl-6-(pyridin-4-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxamide

Systemtic Name: 5-cyano-2-methyl-N,4-diphenyl-6-(pyridin-4-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxamide Openeye Name: 5-cyano-2-methyl-N,4-diphenyl-6-(4-pyridylmethylsulfanyl)-1,4-dihydropyridine-3-carboxamide CAS Name: 5-cyano-2-methyl-N,4-diphenyl-6-(pyridin-4-ylmethylthio)-1,4-dihydropyridine-3-carboxamide IUPAC Name: 5-cyano-2-methyl-N,4-diphenyl-6-(pyridin-4-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxamide Traditional Name: 5-cyano-2-methyl-N,4-diphenyl-6-(4-pyridylmethylthio)-1,4-dihydropyridine-3-carboxamide Formula: C26H22N4OS MolecularWeight: 438.54408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC2=CC=NC=C2)C#N)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC2=CC=NC=C2)C#N)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C26H22N4OS/c1-18-23(25(31)30-21-10-6-3-7-11-21)24(20-8-4-2-5-9-20)22(16-27)26(29-18)32-17-19-12-14-28-15-13-19/h2-15,24,29H,17H2,1H3,(H,30,31)