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

Systemtic Name: 2-[6-(1-adamantyl)-3-cyano-pyridin-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)ethanamide Openeye Name: 2-[[6-(1-adamantyl)-3-cyano-2-pyridyl]sulfanyl]-N-(4-methylthiazol-2-yl)acetamide CAS Name: 2-[[6-(1-adamantyl)-3-cyano-2-pyridinyl]thio]-N-(4-methyl-2-thiazolyl)acetamide IUPAC Name: 2-[6-(1-adamantyl)-3-cyanopyridin-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide Traditional Name: 2-[[6-(1-adamantyl)-3-cyano-2-pyridyl]thio]-N-(4-methylthiazol-2-yl)acetamide Formula: C22H24N4OS2 MolecularWeight: 424.58216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)CSC2=C(C=CC(=N2)C34CC5CC(C3)CC(C5)C4)C#N

Isomeric SMILES

CC1=CSC(=N1)NC(=O)CSC2=C(C=CC(=N2)C34CC5CC(C3)CC(C5)C4)C#N

InChI

InChI=1S/C22H24N4OS2/c1-13-11-29-21(24-13)26-19(27)12-28-20-17(10-23)2-3-18(25-20)22-7-14-4-15(8-22)6-16(5-14)9-22/h2-3,11,14-16H,4-9,12H2,1H3,(H,24,26,27)