2-[6-(1-adamantyl)-3-cyano-pyridin-2-yl]sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanamide

Systemtic Name: 2-[6-(1-adamantyl)-3-cyano-pyridin-2-yl]sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanamide Openeye Name: 2-[[6-(1-adamantyl)-3-cyano-2-pyridyl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide CAS Name: 2-[[6-(1-adamantyl)-3-cyano-2-pyridinyl]thio]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide IUPAC Name: 2-[6-(1-adamantyl)-3-cyanopyridin-2-yl]sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide Traditional Name: 2-[[6-(1-adamantyl)-3-cyano-2-pyridyl]thio]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide Formula: C22H25N5OS2 MolecularWeight: 439.5968

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)CSC2=C(C=CC(=N2)C34CC5CC(C3)CC(C5)C4)C#N

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)CSC2=C(C=CC(=N2)C34CC5CC(C3)CC(C5)C4)C#N

InChI

InChI=1S/C22H25N5OS2/c1-2-19-26-27-21(30-19)25-18(28)12-29-20-16(11-23)3-4-17(24-20)22-8-13-5-14(9-22)7-15(6-13)10-22/h3-4,13-15H,2,5-10,12H2,1H3,(H,25,27,28)