AC1OAOE0
2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
Also Known As: 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide|(E)-2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-nitrobenzylidene)acetohydrazide|2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide|N-[(1E)-2-(4-nitrophenyl)-1-azavinyl]-2-{5-[4-(tert-butyl)phenyl]-4-ethyl(1,2, 4-triazol-3-ylthio)}acetamide
| Molecular Formula | C23H26N6O3S |
|---|---|
| Molecular Weight | 466.1787 g/mol |
| LogP | 4.4131 |
| Topological Polar Surface Area | 115.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 466.1787 |
| Monoisotopic Mass | 466.1787 |
| Heavy Atoms | 33 |
| Complexity | 1148.4349 |
Chemical Identifiers
| CAS Number | 488102-52-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N/N=C/C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)C(C)(C)C |
Product Overview
AC1OAOE0 (CAS 488102-52-9), with molecular formula C23H26N6O3S and molecular weight 466.1787 g/mol. IUPAC: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide.