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

Systemtic Name: N-[4-(1-adamantyl)phenyl]-2-[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-[4-(1-adamantyl)phenyl]-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridyl]sulfanyl]acetamide CAS Name: N-[4-(1-adamantyl)phenyl]-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]thio]acetamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-2-[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanylacetamide Traditional Name: N-[4-(1-adamantyl)phenyl]-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridyl]thio]acetamide Formula: C27H31N3O2S MolecularWeight: 461.61894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H31N3O2S/c1-17-7-21(15-32-2)24(14-28)26(29-17)33-16-25(31)30-23-5-3-22(4-6-23)27-11-18-8-19(12-27)10-20(9-18)13-27/h3-7,18-20H,8-13,15-16H2,1-2H3,(H,30,31)