AC1LUBLW
3-(2,4-dichlorophenyl)-4-[[4-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 5-(2,4-dichlorophenyl)-4-{[4-(trifluoromethyl)benzylidene]amino}-4H-1,2,4-triazole-3-thiol|3-(2,4-dichlorophenyl)-4-[[4-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione|4-{(1E)-2-[4-(trifluoromethyl)phenyl]-1-azavinyl}-5-(2,4-dichlorophenyl)-1,2,4 -triazole-3-thiol|5-(2,4-dichlorophenyl)-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol|5-(2,4-dichlorophenyl)-4-[[4-(trifluoromethyl)phenyl]methylideneamino]-2H-1,2,4-triazole-3-thione
| Molecular Formula | C16H9Cl2F3N4S |
|---|---|
| Molecular Weight | 415.9877 g/mol |
| LogP | 5.81549 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 415.9877 |
| Monoisotopic Mass | 415.9877 |
| Heavy Atoms | 26 |
| Complexity | 1023.2095 |
Chemical Identifiers
| CAS Number | 430447-91-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C=NN2C(=NNC2=S)C3=C(C=C(C=C3)Cl)Cl)C(F)(F)F |
Product Overview
AC1LUBLW (CAS 430447-91-9), with molecular formula C16H9Cl2F3N4S and molecular weight 415.9877 g/mol. IUPAC: 3-(2,4-dichlorophenyl)-4-[[4-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione.
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