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

Systemtic Name: 2-[6-(1-adamantyl)-3-cyano-pyridin-2-yl]sulfanyl-N-(3,5-dimethylpyrazol-1-yl)ethanamide Openeye Name: 2-[[6-(1-adamantyl)-3-cyano-2-pyridyl]sulfanyl]-N-(3,5-dimethylpyrazol-1-yl)acetamide CAS Name: 2-[[6-(1-adamantyl)-3-cyano-2-pyridinyl]thio]-N-(3,5-dimethyl-1-pyrazolyl)acetamide IUPAC Name: 2-[6-(1-adamantyl)-3-cyanopyridin-2-yl]sulfanyl-N-(3,5-dimethylpyrazol-1-yl)acetamide Traditional Name: 2-[[6-(1-adamantyl)-3-cyano-2-pyridyl]thio]-N-(3,5-dimethylpyrazol-1-yl)acetamide Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1NC(=O)CSC2=C(C=CC(=N2)C34CC5CC(C3)CC(C5)C4)C#N)C

Isomeric SMILES

CC1=CC(=NN1NC(=O)CSC2=C(C=CC(=N2)C34CC5CC(C3)CC(C5)C4)C#N)C

InChI

InChI=1S/C23H27N5OS/c1-14-5-15(2)28(26-14)27-21(29)13-30-22-19(12-24)3-4-20(25-22)23-9-16-6-17(10-23)8-18(7-16)11-23/h3-5,16-18H,6-11,13H2,1-2H3,(H,27,29)