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

Systemtic Name: 2-[3-cyano-6-(4-methylphenyl)-4-phenyl-pyridin-2-yl]sulfanyl-N,N-dicyclohexyl-ethanamide Openeye Name: 2-[[3-cyano-4-phenyl-6-(p-tolyl)-2-pyridyl]sulfanyl]-N,N-dicyclohexyl-acetamide CAS Name: 2-[[3-cyano-6-(4-methylphenyl)-4-phenyl-2-pyridinyl]thio]-N,N-dicyclohexylacetamide IUPAC Name: 2-[3-cyano-6-(4-methylphenyl)-4-phenylpyridin-2-yl]sulfanyl-N,N-dicyclohexylacetamide Traditional Name: 2-[[3-cyano-4-phenyl-6-(p-tolyl)-2-pyridyl]thio]-N,N-dicyclohexyl-acetamide Formula: C33H37N3OS MolecularWeight: 523.73138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H37N3OS/c1-24-17-19-26(20-18-24)31-21-29(25-11-5-2-6-12-25)30(22-34)33(35-31)38-23-32(37)36(27-13-7-3-8-14-27)28-15-9-4-10-16-28/h2,5-6,11-12,17-21,27-28H,3-4,7-10,13-16,23H2,1H3