AC1Q2KBQ
3-[(3-bromophenyl)methylsulfanyl]-4-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazole
Also Known As: 3-[(3-bromophenyl)methylsulfanyl]-4-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazole|3-((3-bromobenzyl)thio)-4-(4-chlorophenyl)-5-(p-tolyl)-4H-1,2,4-triazole|3-[(3-bromobenzyl)sulfanyl]-4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazole|3-[(3-bromophenyl)methylthio]-4-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-tria zole|3-{[(3-bromophenyl)methyl]sulfanyl}-4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazole
| Molecular Formula | C22H17BrClN3S |
|---|---|
| Molecular Weight | 469.0015 g/mol |
| LogP | 6.95092 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 469.0015 |
| Monoisotopic Mass | 469.0015 |
| Heavy Atoms | 28 |
| Complexity | 1091.7323 |
Chemical Identifiers
| CAS Number | 862129-34-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC4=CC(=CC=C4)Br |
Product Overview
AC1Q2KBQ (CAS 862129-34-8), with molecular formula C22H17BrClN3S and molecular weight 469.0015 g/mol. IUPAC: 3-[(3-bromophenyl)methylsulfanyl]-4-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazole.
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