2-[4-(4-chlorophenyl)-3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl-N,N-dicyclohexyl-ethanamide

Systemtic Name: 2-[4-(4-chlorophenyl)-3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl-N,N-dicyclohexyl-ethanamide Openeye Name: 2-[[4-(4-chlorophenyl)-3-cyano-6-(p-tolyl)-2-pyridyl]sulfanyl]-N,N-dicyclohexyl-acetamide CAS Name: 2-[[4-(4-chlorophenyl)-3-cyano-6-(4-methylphenyl)-2-pyridinyl]thio]-N,N-dicyclohexylacetamide IUPAC Name: 2-[4-(4-chlorophenyl)-3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl-N,N-dicyclohexylacetamide Traditional Name: 2-[[4-(4-chlorophenyl)-3-cyano-6-(p-tolyl)-2-pyridyl]thio]-N,N-dicyclohexyl-acetamide Formula: C33H36ClN3OS MolecularWeight: 558.17644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)Cl)C#N)SCC(=O)N(C4CCCCC4)C5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)Cl)C#N)SCC(=O)N(C4CCCCC4)C5CCCCC5

InChI

InChI=1S/C33H36ClN3OS/c1-23-12-14-25(15-13-23)31-20-29(24-16-18-26(34)19-17-24)30(21-35)33(36-31)39-22-32(38)37(27-8-4-2-5-9-27)28-10-6-3-7-11-28/h12-20,27-28H,2-11,22H2,1H3