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

Systemtic Name: 2-[6-(1-adamantyl)-3-cyano-pyridin-2-yl]sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[[6-(1-adamantyl)-3-cyano-2-pyridyl]sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[[6-(1-adamantyl)-3-cyano-2-pyridinyl]thio]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[6-(1-adamantyl)-3-cyanopyridin-2-yl]sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[[6-(1-adamantyl)-3-cyano-2-pyridyl]thio]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C25H23N5O3S2 MolecularWeight: 505.61182

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C=C4)C#N)SCC(=O)NC5=NC6=C(S5)C=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C=C4)C#N)SCC(=O)NC5=NC6=C(S5)C=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C25H23N5O3S2/c26-12-17-1-4-21(25-9-14-5-15(10-25)7-16(6-14)11-25)28-23(17)34-13-22(31)29-24-27-19-3-2-18(30(32)33)8-20(19)35-24/h1-4,8,14-16H,5-7,9-11,13H2,(H,27,29,31)