AC1OBMWC
4-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-3-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((5-bromo-2-fluorobenzylidene)amino)-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol|4-[(1E)-2-(5-bromo-2-fluorophenyl)-1-azavinyl]-5-(3-methoxyphenyl)-1,2,4-triaz ole-3-thiol|4-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-3-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione|4-{[(E)-(5-bromo-2-fluorophenyl)methylidene]amino}-5-(3-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione|4-{[(E)-(5-BROMO-2-FLUOROPHENYL)METHYLIDENE]AMINO}-5-(3-METHOXYPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
| Molecular Formula | C16H12BrFN4OS |
|---|---|
| Molecular Weight | 405.98993 g/mol |
| LogP | 4.40009 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.98993 |
| Monoisotopic Mass | 405.98993 |
| Heavy Atoms | 24 |
| Complexity | 966.7064 |
Chemical Identifiers
| CAS Number | 613249-33-5 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=C(C=CC(=C3)Br)F |
Product Overview
AC1OBMWC (CAS 613249-33-5), with molecular formula C16H12BrFN4OS and molecular weight 405.98993 g/mol. IUPAC: 4-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-3-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione.