2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-N-(3,3-diphenylpropyl)ethanamide

Systemtic Name: 2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-N-(3,3-diphenylpropyl)ethanamide Openeye Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)sulfanyl]-N-(3,3-diphenylpropyl)acetamide CAS Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]-N-(3,3-diphenylpropyl)acetamide IUPAC Name: 2-(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl-N-(3,3-diphenylpropyl)acetamide Traditional Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)thio]-N-(3,3-diphenylpropyl)acetamide Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3)C#N)C(=O)C

InChI

InChI=1S/C26H25N3O2S/c1-18-24(19(2)30)15-22(16-27)26(29-18)32-17-25(31)28-14-13-23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,15,23H,13-14,17H2,1-2H3,(H,28,31)