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

Systemtic Name: 2-[6-(1-adamantyl)-3-cyano-pyridin-2-yl]sulfanyl-N,N-diethyl-ethanamide Openeye Name: 2-[[6-(1-adamantyl)-3-cyano-2-pyridyl]sulfanyl]-N,N-diethyl-acetamide CAS Name: 2-[[6-(1-adamantyl)-3-cyano-2-pyridinyl]thio]-N,N-diethylacetamide IUPAC Name: 2-[6-(1-adamantyl)-3-cyanopyridin-2-yl]sulfanyl-N,N-diethylacetamide Traditional Name: 2-[[6-(1-adamantyl)-3-cyano-2-pyridyl]thio]-N,N-diethyl-acetamide Formula: C22H29N3OS MolecularWeight: 383.55016

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=C(C=CC(=N1)C23CC4CC(C2)CC(C4)C3)C#N

Isomeric SMILES

CCN(CC)C(=O)CSC1=C(C=CC(=N1)C23CC4CC(C2)CC(C4)C3)C#N

InChI

InChI=1S/C22H29N3OS/c1-3-25(4-2)20(26)14-27-21-18(13-23)5-6-19(24-21)22-10-15-7-16(11-22)9-17(8-15)12-22/h5-6,15-17H,3-4,7-12,14H2,1-2H3