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

Systemtic Name: 2-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethanoylphenyl)ethanamide Openeye Name: N-(4-acetylphenyl)-2-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-acetylphenyl)-2-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C25H32N4O2S MolecularWeight: 452.61218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O2S/c1-3-29-22(14-25-11-17-8-18(12-25)10-19(9-17)13-25)27-28-24(29)32-15-23(31)26-21-6-4-20(5-7-21)16(2)30/h4-7,17-19H,3,8-15H2,1-2H3,(H,26,31)