(4S)-6-[(4-chlorophenyl)methylsulfanyl]-3-ethanoyl-2-methyl-4-phenyl-3,4-dihydropyridine-5-carbonitrile

Systemtic Name: (4S)-6-[(4-chlorophenyl)methylsulfanyl]-3-ethanoyl-2-methyl-4-phenyl-3,4-dihydropyridine-5-carbonitrile Openeye Name: (4S)-3-acetyl-6-[(4-chlorophenyl)methylsulfanyl]-2-methyl-4-phenyl-3,4-dihydropyridine-5-carbonitrile CAS Name: (4S)-3-acetyl-6-[(4-chlorophenyl)methylthio]-2-methyl-4-phenyl-3,4-dihydropyridine-5-carbonitrile IUPAC Name: (4S)-3-acetyl-6-[(4-chlorophenyl)methylsulfanyl]-2-methyl-4-phenyl-3,4-dihydropyridine-5-carbonitrile Traditional Name: (4S)-3-acetyl-6-[(4-chlorobenzyl)thio]-2-methyl-4-phenyl-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=CC=C2)C#N)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN2OS/c1-14-20(15(2)26)21(17-6-4-3-5-7-17)19(12-24)22(25-14)27-13-16-8-10-18(23)11-9-16/h3-11,20-21H,13H2,1-2H3/t20?,21-/m0/s1