2-[[4-cyclohexyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methyl-phenyl)ethanamide

Systemtic Name: 2-[[4-cyclohexyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methyl-phenyl)ethanamide Openeye Name: 2-[(5-benzyl-4-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethyl-6-methyl-phenyl)acetamide CAS Name: 2-[[4-cyclohexyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(2-ethyl-6-methylphenyl)acetamide IUPAC Name: 2-[(5-benzyl-4-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide Traditional Name: 2-[(5-benzyl-4-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(2-ethyl-6-methyl-phenyl)acetamide Formula: C26H32N4OS MolecularWeight: 448.62348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2C3CCCCC3)CC4=CC=CC=C4)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2C3CCCCC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C26H32N4OS/c1-3-21-14-10-11-19(2)25(21)27-24(31)18-32-26-29-28-23(17-20-12-6-4-7-13-20)30(26)22-15-8-5-9-16-22/h4,6-7,10-14,22H,3,5,8-9,15-18H2,1-2H3,(H,27,31)