4-((5-BR-2-Fluorobenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
4-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-((5-Bromo-2-fluorobenzylidene)amino)-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione|(E)-4-((5-bromo-2-fluorobenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol|4-((5-BR-2-Fluorobenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol|4-[(1E)-2-(5-bromo-2-fluorophenyl)-1-azavinyl]-5-(3-ethoxyphenyl)-1,2,4-triazo le-3-thiol|4-[(5-bromo-2-fluoro-phenyl)methylideneamino]-5-(3-ethoxyphenyl)-2H-1,2,4-triazole-3-thione|4-{[(E)-(5-bromo-2-fluorophenyl)methylidene]amino}-5-(3-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione|4-{[(E)-(5-bromo-2-fluorophenyl)methylidene]amino}-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol|655-691-7
| Molecular Formula | C17H14BrFN4OS |
|---|---|
| Molecular Weight | 420.00558 g/mol |
| LogP | 4.79019 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.00558 |
| Monoisotopic Mass | 420.00558 |
| Heavy Atoms | 25 |
| Complexity | 982.77435 |
Chemical Identifiers
| CAS Number | 613249-86-8 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=C(C=CC(=C3)Br)F |
Product Overview
4-((5-BR-2-Fluorobenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 613249-86-8), with molecular formula C17H14BrFN4OS and molecular weight 420.00558 g/mol. IUPAC: 4-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5-thione.