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

Systemtic Name: 2-[[5-(1-adamantylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-ethanoylphenyl)ethanamide Openeye Name: N-(3-acetylphenyl)-2-[[5-(1-adamantylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-acetylphenyl)-2-[[5-(1-adamantylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-acetylphenyl)-2-[[5-(1-adamantylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(3-acetylphenyl)-2-[[5-(1-adamantylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C24H30N4O2S MolecularWeight: 438.5856

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H30N4O2S/c1-15(29)19-4-3-5-20(9-19)25-22(30)14-31-23-27-26-21(28(23)2)13-24-10-16-6-17(11-24)8-18(7-16)12-24/h3-5,9,16-18H,6-8,10-14H2,1-2H3,(H,25,30)