2-((4-(4-BR-PH)-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-1-(2-CL-PH)ethanone
2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-chlorophenyl)ethanone
Also Known As: SALOR-INT L417432-1EA|2-((4-(4-BR-PH)-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-1-(2-CL-PH)ETHANONE|2-((4-(4-Bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(2-chlorophenyl)ethanone|2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-chlorophenyl)ethanone|2-[4-(4-bromophenyl)-5-(3-pyridyl)(1,2,4-triazol-3-ylthio)]-1-(2-chlorophenyl) ethan-1-one|2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2-chlorophenyl)ethan-1-one|2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2-chlorophenyl)ethanone|637-592-0
| Molecular Formula | C21H14BrClN4OS |
|---|---|
| Molecular Weight | 483.976 g/mol |
| LogP | 5.7202 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 483.976 |
| Monoisotopic Mass | 483.976 |
| Heavy Atoms | 29 |
| Complexity | 1149.077 |
Chemical Identifiers
| CAS Number | 577765-88-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CN=CC=C4)Cl |
Product Overview
2-((4-(4-BR-PH)-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-1-(2-CL-PH)ethanone (CAS 577765-88-9), with molecular formula C21H14BrClN4OS and molecular weight 483.976 g/mol. IUPAC: 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-chlorophenyl)ethanone.