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

Systemtic Name: 2-[6-(1-adamantyl)-3-cyano-pyridin-2-yl]sulfanyl-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[[6-(1-adamantyl)-3-cyano-2-pyridyl]sulfanyl]-N-(4-methoxyphenyl)acetamide CAS Name: 2-[[6-(1-adamantyl)-3-cyano-2-pyridinyl]thio]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[6-(1-adamantyl)-3-cyanopyridin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[[6-(1-adamantyl)-3-cyano-2-pyridyl]thio]-N-(4-methoxyphenyl)acetamide Formula: C25H27N3O2S MolecularWeight: 433.56578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSC2=C(C=CC(=N2)C34CC5CC(C3)CC(C5)C4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSC2=C(C=CC(=N2)C34CC5CC(C3)CC(C5)C4)C#N

InChI

InChI=1S/C25H27N3O2S/c1-30-21-5-3-20(4-6-21)27-23(29)15-31-24-19(14-26)2-7-22(28-24)25-11-16-8-17(12-25)10-18(9-16)13-25/h2-7,16-18H,8-13,15H2,1H3,(H,27,29)