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

Systemtic Name: 2-[6-(1-adamantyl)-3-cyano-pyridin-2-yl]sulfanyl-N-(1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[[6-(1-adamantyl)-3-cyano-2-pyridyl]sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[[6-(1-adamantyl)-3-cyano-2-pyridinyl]thio]-N-(1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[6-(1-adamantyl)-3-cyanopyridin-2-yl]sulfanyl-N-(1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[[6-(1-adamantyl)-3-cyano-2-pyridyl]thio]-N-(1,3-benzothiazol-2-yl)acetamide Formula: C25H24N4OS2 MolecularWeight: 460.61426

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C=C4)C#N)SCC(=O)NC5=NC6=CC=CC=C6S5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C=C4)C#N)SCC(=O)NC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C25H24N4OS2/c26-13-18-5-6-21(25-10-15-7-16(11-25)9-17(8-15)12-25)28-23(18)31-14-22(30)29-24-27-19-3-1-2-4-20(19)32-24/h1-6,15-17H,7-12,14H2,(H,27,29,30)