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

Systemtic Name: 2-[[5-(2-cyclohexylethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethanoylphenyl)ethanamide Openeye Name: N-(4-acetylphenyl)-2-[[5-(2-cyclohexylethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-acetylphenyl)-2-[[5-(2-cyclohexylethyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[[5-(2-cyclohexylethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[[5-(2-cyclohexylethyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CCC3CCCCC3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CCC3CCCCC3

InChI

InChI=1S/C21H28N4O2S/c1-15(26)17-9-11-18(12-10-17)22-20(27)14-28-21-24-23-19(25(21)2)13-8-16-6-4-3-5-7-16/h9-12,16H,3-8,13-14H2,1-2H3,(H,22,27)