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

Systemtic Name: 2-[[5-cyclohexyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethanoylphenyl)ethanamide Openeye Name: N-(4-acetylphenyl)-2-[(4-benzyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-acetylphenyl)-2-[[5-cyclohexyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[(4-benzyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[(4-benzyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C25H28N4O2S MolecularWeight: 448.58042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C25H28N4O2S/c1-18(30)20-12-14-22(15-13-20)26-23(31)17-32-25-28-27-24(21-10-6-3-7-11-21)29(25)16-19-8-4-2-5-9-19/h2,4-5,8-9,12-15,21H,3,6-7,10-11,16-17H2,1H3,(H,26,31)