AC1LZUQ5
3-[(4-bromophenyl)methylsulfanyl]-5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazole
Also Known As: 3-((4-bromobenzyl)thio)-5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole|3-[(4-bromobenzyl)sulfanyl]-5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole|3-[(4-bromophenyl)methylsulfanyl]-5-(3-chlorophenyl)-4-(2-furylmethyl)-1,2,4-triazole|3-[(4-bromophenyl)methylsulfanyl]-5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazole|3-[(4-bromophenyl)methylthio]-5-(3-chlorophenyl)-4-(2-furylmethyl)-1,2,4-triaz ole|3-{[(4-bromophenyl)methyl]sulfanyl}-5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole
| Molecular Formula | C20H15BrClN3OS |
|---|---|
| Molecular Weight | 458.98077 g/mol |
| LogP | 6.2946 |
| Topological Polar Surface Area | 43.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.98077 |
| Monoisotopic Mass | 458.98077 |
| Heavy Atoms | 27 |
| Complexity | 1031.8336 |
Chemical Identifiers
| CAS Number | 899385-76-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)Br |
Product Overview
AC1LZUQ5 (CAS 899385-76-3), with molecular formula C20H15BrClN3OS and molecular weight 458.98077 g/mol. IUPAC: 3-[(4-bromophenyl)methylsulfanyl]-5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazole.