5-cyano-6-hexylsulfanyl-2-methyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide

Systemtic Name: 5-cyano-6-hexylsulfanyl-2-methyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide Openeye Name: 5-cyano-6-hexylsulfanyl-2-methyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide CAS Name: 5-cyano-6-(hexylthio)-2-methyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide IUPAC Name: 5-cyano-6-hexylsulfanyl-2-methyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide Traditional Name: 5-cyano-6-(hexylthio)-2-methyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide Formula: C26H29N3OS MolecularWeight: 431.59296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCCCSC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C26H29N3OS/c1-3-4-5-12-17-31-26-22(18-27)24(20-13-8-6-9-14-20)23(19(2)28-26)25(30)29-21-15-10-7-11-16-21/h6-11,13-16,24,28H,3-5,12,17H2,1-2H3,(H,29,30)