AC1OAU49
2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
Also Known As: 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-pyridin-2-ylmethylidene]acetohydrazide|(E)-2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-(pyridin-2-ylmethylene)acetohydrazide|2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide|N-((1E)-2-(2-pyridyl)-1-azavinyl)-2-{5-[4-(tert-butyl)phenyl]-4-ethyl(1,2,4-tr iazol-3-ylthio)}acetamide
| Molecular Formula | C22H26N6OS |
|---|---|
| Molecular Weight | 422.18887 g/mol |
| LogP | 3.8999 |
| Topological Polar Surface Area | 85.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.18887 |
| Monoisotopic Mass | 422.18887 |
| Heavy Atoms | 30 |
| Complexity | 1006.35706 |
Chemical Identifiers
| CAS Number | 488136-46-5 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N/N=C/C2=CC=CC=N2)C3=CC=C(C=C3)C(C)(C)C |
Product Overview
AC1OAU49 (CAS 488136-46-5), with molecular formula C22H26N6OS and molecular weight 422.18887 g/mol. IUPAC: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide.