N-[1-(1-adamantyl)ethyl]-2-(6-azanyl-3,5-dicyano-4-methyl-pyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-2-(6-azanyl-3,5-dicyano-4-methyl-pyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-[1-(1-adamantyl)ethyl]-2-[(6-amino-3,5-dicyano-4-methyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-[1-(1-adamantyl)ethyl]-2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)thio]acetamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-2-(6-amino-3,5-dicyano-4-methylpyridin-2-yl)sulfanylacetamide Traditional Name: N-[1-(1-adamantyl)ethyl]-2-[(6-amino-3,5-dicyano-4-methyl-2-pyridyl)thio]acetamide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5OS/c1-12-17(9-23)20(25)27-21(18(12)10-24)29-11-19(28)26-13(2)22-6-14-3-15(7-22)5-16(4-14)8-22/h13-16H,3-8,11H2,1-2H3,(H2,25,27)(H,26,28)