3-((2-CL-6-Fluorobenzyl)thio)-5-(4-CL-PH)-4-(4-methylphenyl)-4H-1,2,4-triazole
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazole
Also Known As: 3-[(2-chloro-6-fluorobenzyl)sulfanyl]-5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole|3-((2-Chloro-6-fluorobenzyl)thio)-5-(4-chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazole|3-((2-CL-6-FLUOROBENZYL)THIO)-5-(4-CL-PH)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOLE|3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazole|3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazole|3-[(6-chloro-2-fluorophenyl)methylthio]-5-(4-chlorophenyl)-4-(4-methylphenyl)- 1,2,4-triazole|3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole|650-704-2
| Molecular Formula | C22H16Cl2FN3S |
|---|---|
| Molecular Weight | 443.0426 g/mol |
| LogP | 6.98092 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 443.0426 |
| Monoisotopic Mass | 443.0426 |
| Heavy Atoms | 29 |
| Complexity | 1121.6936 |
Chemical Identifiers
| CAS Number | 477331-50-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=CC=C3Cl)F)C4=CC=C(C=C4)Cl |
Product Overview
3-((2-CL-6-Fluorobenzyl)thio)-5-(4-CL-PH)-4-(4-methylphenyl)-4H-1,2,4-triazole (CAS 477331-50-3), with molecular formula C22H16Cl2FN3S and molecular weight 443.0426 g/mol. IUPAC: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazole.