4-(4-chlorophenyl)-5-ethanoyl-6-methyl-2-(phenylmethylsulfanyl)-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: 4-(4-chlorophenyl)-5-ethanoyl-6-methyl-2-(phenylmethylsulfanyl)-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-2-benzylsulfanyl-4-(4-chlorophenyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-4-(4-chlorophenyl)-6-methyl-2-(phenylmethylthio)-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-2-benzylsulfanyl-4-(4-chlorophenyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-2-(benzylthio)-4-(4-chlorophenyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile Formula: C22H19ClN2OS MolecularWeight: 394.91706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC2=CC=CC=C2)C#N)C3=CC=C(C=C3)Cl)C(=O)C

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC2=CC=CC=C2)C#N)C3=CC=C(C=C3)Cl)C(=O)C

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/h3-11,21,25H,13H2,1-2H3