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

Systemtic Name: 2-[3-cyano-4-(4-methoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-N,N-dicyclohexyl-ethanamide Openeye Name: 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]-N,N-dicyclohexyl-acetamide CAS Name: 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]thio]-N,N-dicyclohexylacetamide IUPAC Name: 2-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-N,N-dicyclohexylacetamide Traditional Name: 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]thio]-N,N-dicyclohexyl-acetamide Formula: C33H37N3O2S MolecularWeight: 539.73078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)N(C3CCCCC3)C4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)N(C3CCCCC3)C4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C33H37N3O2S/c1-38-28-19-17-24(18-20-28)29-21-31(25-11-5-2-6-12-25)35-33(30(29)22-34)39-23-32(37)36(26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2,5-6,11-12,17-21,26-27H,3-4,7-10,13-16,23H2,1H3