AC1MP2UO
N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2,5-dichlorobenzamide
Also Known As: Oprea1_708627|F0475-0156|N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2,5-dichlorobenzamide|N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2,5-dichlorobenzamide|N-((4-(4-bromophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-2,5-dichlorobenzamide|N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2,5-dichloro-benzamide
| Molecular Formula | C16H11BrCl2N4OS |
|---|---|
| Molecular Weight | 455.9214 g/mol |
| LogP | 4.92919 |
| Topological Polar Surface Area | 62.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.9214 |
| Monoisotopic Mass | 455.9214 |
| Heavy Atoms | 25 |
| Complexity | 984.5449 |
Chemical Identifiers
| CAS Number | 391887-01-7 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=NNC2=S)CNC(=O)C3=C(C=CC(=C3)Cl)Cl)Br |
Product Overview
AC1MP2UO (CAS 391887-01-7), with molecular formula C16H11BrCl2N4OS and molecular weight 455.9214 g/mol. IUPAC: N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2,5-dichlorobenzamide.
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