N-(2-adamantyl)-2-[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-adamantyl)-2-[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-adamantyl)-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridyl]sulfanyl]acetamide CAS Name: N-(2-adamantyl)-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]thio]acetamide IUPAC Name: N-(2-adamantyl)-2-[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanylacetamide Traditional Name: N-(2-adamantyl)-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridyl]thio]acetamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)NC2C3CC4CC(C3)CC2C4

Isomeric SMILES

CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)NC2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C21H27N3O2S/c1-12-3-17(10-26-2)18(9-22)21(23-12)27-11-19(25)24-20-15-5-13-4-14(7-15)8-16(20)6-13/h3,13-16,20H,4-8,10-11H2,1-2H3,(H,24,25)