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

Systemtic Name: 2-[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-pyridin-2-yl]sulfanyl-N-cyclohexyl-ethanamide Openeye Name: 2-[[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-2-pyridyl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-2-pyridinyl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl]sulfanyl-N-cyclohexylacetamide Traditional Name: 2-[(3-cyano-4-phenyl-6-p-phenetyl-2-pyridyl)thio]-N-cyclohexyl-acetamide Formula: C28H29N3O2S MolecularWeight: 471.61376

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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)NC4CCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(=O)NC4CCCCC4

InChI

InChI=1S/C28H29N3O2S/c1-2-33-23-15-13-21(14-16-23)26-17-24(20-9-5-3-6-10-20)25(18-29)28(31-26)34-19-27(32)30-22-11-7-4-8-12-22/h3,5-6,9-10,13-17,22H,2,4,7-8,11-12,19H2,1H3,(H,30,32)