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

Systemtic Name: N-(1-adamantyl)-2-[6-(1-adamantyl)-3-cyano-pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[[6-(1-adamantyl)-3-cyano-2-pyridyl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[6-(1-adamantyl)-3-cyano-2-pyridinyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[6-(1-adamantyl)-3-cyanopyridin-2-yl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[[6-(1-adamantyl)-3-cyano-2-pyridyl]thio]acetamide Formula: C28H35N3OS MolecularWeight: 461.662

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C=C4)C#N)SCC(=O)NC56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C=C4)C#N)SCC(=O)NC56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C28H35N3OS/c29-15-23-1-2-24(27-9-17-3-18(10-27)5-19(4-17)11-27)30-26(23)33-16-25(32)31-28-12-20-6-21(13-28)8-22(7-20)14-28/h1-2,17-22H,3-14,16H2,(H,31,32)