(4R)-3-ethanoyl-2-methyl-4-phenyl-6-(phenylmethylsulfanyl)-3,4-dihydropyridine-5-carbonitrile

Systemtic Name: (4R)-3-ethanoyl-2-methyl-4-phenyl-6-(phenylmethylsulfanyl)-3,4-dihydropyridine-5-carbonitrile Openeye Name: (4R)-3-acetyl-6-benzylsulfanyl-2-methyl-4-phenyl-3,4-dihydropyridine-5-carbonitrile CAS Name: (4R)-3-acetyl-2-methyl-4-phenyl-6-(phenylmethylthio)-3,4-dihydropyridine-5-carbonitrile IUPAC Name: (4R)-3-acetyl-6-benzylsulfanyl-2-methyl-4-phenyl-3,4-dihydropyridine-5-carbonitrile Traditional Name: (4R)-3-acetyl-6-(benzylthio)-2-methyl-4-phenyl-3,4-dihydropyridine-5-carbonitrile Formula: C22H20N2OS MolecularWeight: 360.472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)C)C2=CC=CC=C2)C#N)SCC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=C([C@H](C1C(=O)C)C2=CC=CC=C2)C#N)SCC3=CC=CC=C3

InChI

InChI=1S/C22H20N2OS/c1-15-20(16(2)25)21(18-11-7-4-8-12-18)19(13-23)22(24-15)26-14-17-9-5-3-6-10-17/h3-12,20-21H,14H2,1-2H3/t20?,21-/m1/s1