2-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-bromanylpyridin-2-yl)ethanamide

Systemtic Name: 2-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-bromanylpyridin-2-yl)ethanamide Openeye Name: 2-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-bromo-2-pyridyl)acetamide CAS Name: 2-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(5-bromo-2-pyridinyl)acetamide IUPAC Name: 2-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-bromopyridin-2-yl)acetamide Traditional Name: 2-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(5-bromo-2-pyridyl)acetamide Formula: C22H28BrN5OS MolecularWeight: 490.45962

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=NC=C(C=C2)Br)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=NC=C(C=C2)Br)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H28BrN5OS/c1-2-28-19(11-22-8-14-5-15(9-22)7-16(6-14)10-22)26-27-21(28)30-13-20(29)25-18-4-3-17(23)12-24-18/h3-4,12,14-16H,2,5-11,13H2,1H3,(H,24,25,29)