AC1LZMRE
3-[(4-bromophenyl)methylsulfanyl]-5-(3-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazole
Also Known As: 3-[(4-bromophenyl)methylsulfanyl]-5-(3-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazole|3-((4-bromobenzyl)thio)-5-(3-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazole|3-[(4-bromobenzyl)sulfanyl]-5-(3-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazole|3-[(4-bromophenyl)methylthio]-4-(4-chlorophenyl)-5-(3-chlorophenyl)-1,2,4-tria zole|3-{[(4-bromophenyl)methyl]sulfanyl}-5-(3-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazole
| Molecular Formula | C21H14BrCl2N3S |
|---|---|
| Molecular Weight | 488.9469 g/mol |
| LogP | 7.2959 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 488.9469 |
| Monoisotopic Mass | 488.9469 |
| Heavy Atoms | 28 |
| Complexity | 1095.6011 |
Chemical Identifiers
| CAS Number | 899386-49-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC4=CC=C(C=C4)Br |
Product Overview
AC1LZMRE (CAS 899386-49-3), with molecular formula C21H14BrCl2N3S and molecular weight 488.9469 g/mol. IUPAC: 3-[(4-bromophenyl)methylsulfanyl]-5-(3-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazole.
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