N-(1-adamantyl)-2-[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridyl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanylacetamide Traditional Name: N-(1-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)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

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