4-(4-chlorophenyl)-5-cyano-2-methyl-N-(2-methylphenyl)-6-phenacylsulfanyl-pyridine-3-carboxamide

Systemtic Name: 4-(4-chlorophenyl)-5-cyano-2-methyl-N-(2-methylphenyl)-6-phenacylsulfanyl-pyridine-3-carboxamide Openeye Name: 4-(4-chlorophenyl)-5-cyano-2-methyl-N-(o-tolyl)-6-phenacylsulfanyl-pyridine-3-carboxamide CAS Name: 4-(4-chlorophenyl)-5-cyano-2-methyl-N-(2-methylphenyl)-6-(phenacylthio)-3-pyridinecarboxamide IUPAC Name: 4-(4-chlorophenyl)-5-cyano-2-methyl-N-(2-methylphenyl)-6-phenacylsulfanylpyridine-3-carboxamide Traditional Name: 4-(4-chlorophenyl)-5-cyano-2-methyl-N-(o-tolyl)-6-(phenacylthio)nicotinamide Formula: C29H22ClN3O2S MolecularWeight: 512.02188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(N=C(C(=C2C3=CC=C(C=C3)Cl)C#N)SCC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(N=C(C(=C2C3=CC=C(C=C3)Cl)C#N)SCC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C29H22ClN3O2S/c1-18-8-6-7-11-24(18)33-28(35)26-19(2)32-29(36-17-25(34)20-9-4-3-5-10-20)23(16-31)27(26)21-12-14-22(30)15-13-21/h3-15H,17H2,1-2H3,(H,33,35)