SpectraBase Spectrum ID |
IZH2K2BNGRR |
Name |
4-((E)-{[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazono}methyl)-2-ethoxyphenyl 4-methylbenzenesulfonate |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
561.035053912 u |
Formula |
C25H21Cl2N3O4S2 |
InChI |
InChI=1S/C25H21Cl2N3O4S2/c1-3-33-24-12-17(6-11-23(24)34-36(31,32)19-8-4-16(2)5-9-19)14-28-30-25-29-22(15-35-25)20-10-7-18(26)13-21(20)27/h4-15H,3H2,1-2H3,(H,29,30)/b28-14+ |
InChIKey |
OMPUHYJMAKEUAU-CCVNUDIWSA-N |
Molecular Weight |
562.486 g/mol |
SMILES |
N(C1=NC(C2=C(C=C(C=C2)Cl)Cl)=CS1)\N=C\C=1C=CC(OS(C=2C=CC(=CC2)C)(=O)=O)=C(C1)OCC |