AC1OAW39
2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
Also Known As: 2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-nitrophenyl)methylidene]acetohydrazide|(E)-2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-(3-nitrobenzylidene)acetohydrazide|2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide|N-[(1E)-2-(3-nitrophenyl)-1-azavinyl]-2-[5-(4-chlorophenyl)-4-ethyl(1,2,4-tria zol-3-ylthio)]acetamide
| Molecular Formula | C19H17ClN6O3S |
|---|---|
| Molecular Weight | 444.07715 g/mol |
| LogP | 3.769 |
| Topological Polar Surface Area | 115.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 444.07715 |
| Monoisotopic Mass | 444.07715 |
| Heavy Atoms | 30 |
| Complexity | 1084.1288 |
Chemical Identifiers
| CAS Number | 488706-53-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N/N=C/C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)Cl |
Product Overview
AC1OAW39 (CAS 488706-53-2), with molecular formula C19H17ClN6O3S and molecular weight 444.07715 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide.