AC1OBZ76
[2-methoxy-4-[(E)-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzenesulfonate
Also Known As: (E)-2-methoxy-4-((2-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl 4-chlorobenzenesulfonate|[2-methoxy-4-[(E)-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzenesulfonate|2-methoxy-4-[(E)-(2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinylidene)methyl]phenyl 4-chlorobenzenesulfonate
| Molecular Formula | C19H18ClN5O5S2 |
|---|---|
| Molecular Weight | 495.0438 g/mol |
| LogP | 2.4872 |
| Topological Polar Surface Area | 124.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 495.0438 |
| Monoisotopic Mass | 495.0438 |
| Heavy Atoms | 32 |
| Complexity | 1229.1604 |
Chemical Identifiers
| CAS Number | 579446-19-8 |
|---|---|
| SMILES | CN1C=NN=C1SCC(=O)N/N=C/C2=CC(=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)Cl)OC |
Product Overview
AC1OBZ76 (CAS 579446-19-8), with molecular formula C19H18ClN5O5S2 and molecular weight 495.0438 g/mol. IUPAC: [2-methoxy-4-[(E)-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzenesulfonate.
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