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

Systemtic Name: 4-(4-chlorophenyl)-5-ethanoyl-6-methyl-2-[(3-nitrophenyl)methylsulfanyl]-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-4-(4-chlorophenyl)-6-methyl-2-[(3-nitrophenyl)methylsulfanyl]-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-4-(4-chlorophenyl)-6-methyl-2-[(3-nitrophenyl)methylthio]-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-4-(4-chlorophenyl)-6-methyl-2-[(3-nitrophenyl)methylsulfanyl]-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-4-(4-chlorophenyl)-6-methyl-2-[(3-nitrobenzyl)thio]-1,4-dihydropyridine-3-carbonitrile Formula: C22H18ClN3O3S MolecularWeight: 439.91462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC2=CC(=CC=C2)[N+](=O)[O-])C#N)C3=CC=C(C=C3)Cl)C(=O)C

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC2=CC(=CC=C2)[N+](=O)[O-])C#N)C3=CC=C(C=C3)Cl)C(=O)C

InChI

InChI=1S/C22H18ClN3O3S/c1-13-20(14(2)27)21(16-6-8-17(23)9-7-16)19(11-24)22(25-13)30-12-15-4-3-5-18(10-15)26(28)29/h3-10,21,25H,12H2,1-2H3