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

Systemtic Name: 2-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)ethanamide Openeye Name: 2-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)acetamide CAS Name: 2-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(1-phenylethyl)acetamide IUPAC Name: 2-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)acetamide Traditional Name: 2-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(1-phenylethyl)acetamide Formula: C25H34N4OS MolecularWeight: 438.62866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N4OS/c1-3-29-22(15-25-12-18-9-19(13-25)11-20(10-18)14-25)27-28-24(29)31-16-23(30)26-17(2)21-7-5-4-6-8-21/h4-8,17-20H,3,9-16H2,1-2H3,(H,26,30)