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

Systemtic Name: 2-[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-pyridin-2-yl]sulfanyl-N,N-dicyclohexyl-ethanamide Openeye Name: 2-[[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-2-pyridyl]sulfanyl]-N,N-dicyclohexyl-acetamide CAS Name: 2-[[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-2-pyridinyl]thio]-N,N-dicyclohexylacetamide IUPAC Name: 2-[3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl]sulfanyl-N,N-dicyclohexylacetamide Traditional Name: 2-[(3-cyano-4-phenyl-6-p-phenetyl-2-pyridyl)thio]-N,N-dicyclohexyl-acetamide Formula: C34H39N3O2S MolecularWeight: 553.75736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(=O)N(C4CCCCC4)C5CCCCC5

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(=O)N(C4CCCCC4)C5CCCCC5

InChI

InChI=1S/C34H39N3O2S/c1-2-39-29-20-18-26(19-21-29)32-22-30(25-12-6-3-7-13-25)31(23-35)34(36-32)40-24-33(38)37(27-14-8-4-9-15-27)28-16-10-5-11-17-28/h3,6-7,12-13,18-22,27-28H,2,4-5,8-11,14-17,24H2,1H3