N-(1-adamantyl)-2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-ethanamide Openeye Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)sulfanyl]-N-(1-adamantyl)acetamide CAS Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]-N-(1-adamantyl)acetamide IUPAC Name: 2-(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl-N-(1-adamantyl)acetamide Traditional Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)thio]-N-(1-adamantyl)acetamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC(=O)NC23CC4CC(C2)CC(C4)C3)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC(=O)NC23CC4CC(C2)CC(C4)C3)C#N)C(=O)C

InChI

InChI=1S/C21H25N3O2S/c1-12-18(13(2)25)6-17(10-22)20(23-12)27-11-19(26)24-21-7-14-3-15(8-21)5-16(4-14)9-21/h6,14-16H,3-5,7-9,11H2,1-2H3,(H,24,26)