AC1OBNIR
3-[4-(dimethylamino)phenyl]-4-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: (E)-5-(4-(dimethylamino)phenyl)-4-((2-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol|3-(4-dimethylaminophenyl)-4-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione|4-{(1E)-2-[2-(trifluoromethyl)phenyl]-1-azavinyl}-5-[4-(dimethylamino)phenyl]- 1,2,4-triazole-3-thiol|5-[4-(dimethylamino)phenyl]-4-({(E)-[2-(trifluoromethyl)phenyl]methylidene}amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione|5-[4-(dimethylamino)phenyl]-4-({(E)-[2-(trifluoromethyl)phenyl]methylidene}amino)-4H-1,2,4-triazol-3-yl hydrosulfide
| Molecular Formula | C18H16F3N5S |
|---|---|
| Molecular Weight | 391.10785 g/mol |
| LogP | 4.57469 |
| Topological Polar Surface Area | 49.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.10785 |
| Monoisotopic Mass | 391.10785 |
| Heavy Atoms | 27 |
| Complexity | 1016.4666 |
Chemical Identifiers
| CAS Number | 613250-83-2 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=CC=CC=C3C(F)(F)F |
Product Overview
AC1OBNIR (CAS 613250-83-2), with molecular formula C18H16F3N5S and molecular weight 391.10785 g/mol. IUPAC: 3-[4-(dimethylamino)phenyl]-4-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione.