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

Systemtic Name: 2-[[5-(1-adamantyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethanoylphenyl)ethanamide Openeye Name: N-(4-acetylphenyl)-2-[[5-(1-adamantyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-acetylphenyl)-2-[[5-(1-adamantyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[[5-(1-adamantyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[[5-(1-adamantyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H28N4O2S/c1-14(28)18-3-5-19(6-4-18)24-20(29)13-30-22-26-25-21(27(22)2)23-10-15-7-16(11-23)9-17(8-15)12-23/h3-6,15-17H,7-13H2,1-2H3,(H,24,29)