N-[1-(1-adamantyl)ethyl]-2-(5-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-2-(5-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-[1-(1-adamantyl)ethyl]-2-[(5-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-[1-(1-adamantyl)ethyl]-2-[(5-cyano-4,6-dimethyl-2-pyridinyl)thio]acetamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-2-(5-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetamide Traditional Name: N-[1-(1-adamantyl)ethyl]-2-[(5-cyano-4,6-dimethyl-2-pyridyl)thio]acetamide Formula: C22H29N3OS MolecularWeight: 383.55016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)C)SCC(=O)NC(C)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC(=NC(=C1C#N)C)SCC(=O)NC(C)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H29N3OS/c1-13-4-21(24-14(2)19(13)11-23)27-12-20(26)25-15(3)22-8-16-5-17(9-22)7-18(6-16)10-22/h4,15-18H,5-10,12H2,1-3H3,(H,25,26)