AC1OBN3L
3-(3-methoxyphenyl)-4-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: (E)-5-(3-methoxyphenyl)-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol|3-(3-methoxyphenyl)-4-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione|4-{(1E)-2-[4-(trifluoromethyl)phenyl]-1-azavinyl}-5-(3-methoxyphenyl)-1,2,4-tr iazole-3-thiol|5-(3-methoxyphenyl)-4-({(E)-[4-(trifluoromethyl)phenyl]methylidene}amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione|5-(3-methoxyphenyl)-4-({(E)-[4-(trifluoromethyl)phenyl]methylidene}amino)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C17H13F3N4OS |
|---|---|
| Molecular Weight | 378.0762 g/mol |
| LogP | 4.51729 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.0762 |
| Monoisotopic Mass | 378.0762 |
| Heavy Atoms | 26 |
| Complexity | 990.23285 |
Chemical Identifiers
| CAS Number | 613249-29-9 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)C(F)(F)F |
Product Overview
AC1OBN3L (CAS 613249-29-9), with molecular formula C17H13F3N4OS and molecular weight 378.0762 g/mol. IUPAC: 3-(3-methoxyphenyl)-4-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione.