2-[6-(1-adamantyl)-3-cyano-pyridin-2-yl]sulfanyl-N-[3,5-bis(bromanyl)pyridin-2-yl]ethanamide

Systemtic Name: 2-[6-(1-adamantyl)-3-cyano-pyridin-2-yl]sulfanyl-N-[3,5-bis(bromanyl)pyridin-2-yl]ethanamide Openeye Name: 2-[[6-(1-adamantyl)-3-cyano-2-pyridyl]sulfanyl]-N-(3,5-dibromo-2-pyridyl)acetamide CAS Name: 2-[[6-(1-adamantyl)-3-cyano-2-pyridinyl]thio]-N-(3,5-dibromo-2-pyridinyl)acetamide IUPAC Name: 2-[6-(1-adamantyl)-3-cyanopyridin-2-yl]sulfanyl-N-(3,5-dibromopyridin-2-yl)acetamide Traditional Name: 2-[[6-(1-adamantyl)-3-cyano-2-pyridyl]thio]-N-(3,5-dibromo-2-pyridyl)acetamide Formula: C23H22Br2N4OS MolecularWeight: 562.31998

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C=C4)C#N)SCC(=O)NC5=C(C=C(C=N5)Br)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C=C4)C#N)SCC(=O)NC5=C(C=C(C=N5)Br)Br

InChI

InChI=1S/C23H22Br2N4OS/c24-17-6-18(25)21(27-11-17)29-20(30)12-31-22-16(10-26)1-2-19(28-22)23-7-13-3-14(8-23)5-15(4-13)9-23/h1-2,6,11,13-15H,3-5,7-9,12H2,(H,27,29,30)