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

Systemtic Name: (4R)-4-(4-chlorophenyl)-3-ethanoyl-2-methyl-6-(phenylmethylsulfanyl)-3,4-dihydropyridine-5-carbonitrile Openeye Name: (4R)-3-acetyl-6-benzylsulfanyl-4-(4-chlorophenyl)-2-methyl-3,4-dihydropyridine-5-carbonitrile CAS Name: (4R)-3-acetyl-4-(4-chlorophenyl)-2-methyl-6-(phenylmethylthio)-3,4-dihydropyridine-5-carbonitrile IUPAC Name: (4R)-3-acetyl-6-benzylsulfanyl-4-(4-chlorophenyl)-2-methyl-3,4-dihydropyridine-5-carbonitrile Traditional Name: (4R)-3-acetyl-6-(benzylthio)-4-(4-chlorophenyl)-2-methyl-3,4-dihydropyridine-5-carbonitrile Formula: C22H19ClN2OS MolecularWeight: 394.91706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN2OS/c1-14-20(15(2)26)21(17-8-10-18(23)11-9-17)19(12-24)22(25-14)27-13-16-6-4-3-5-7-16/h3-11,20-21H,13H2,1-2H3/t20?,21-/m1/s1