2-[(4-chlorophenyl)methylsulfanyl]-5-ethanoyl-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-ethanoyl-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-2-[(4-chlorophenyl)methylthio]-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[(4-chlorobenzyl)thio]-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile Formula: C22H19ClN2OS MolecularWeight: 394.91706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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