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

Systemtic Name: 2-[6-(1-adamantyl)-3-cyano-pyridin-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[[6-(1-adamantyl)-3-cyano-2-pyridyl]sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide CAS Name: 2-[[6-(1-adamantyl)-3-cyano-2-pyridinyl]thio]-N-(3,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[6-(1-adamantyl)-3-cyanopyridin-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-[[6-(1-adamantyl)-3-cyano-2-pyridyl]thio]-N-(3,4-dimethoxyphenyl)acetamide Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O3S/c1-31-21-5-4-20(10-22(21)32-2)28-24(30)15-33-25-19(14-27)3-6-23(29-25)26-11-16-7-17(12-26)9-18(8-16)13-26/h3-6,10,16-18H,7-9,11-13,15H2,1-2H3,(H,28,30)