| SpectraBase Spectrum ID |
LQkZiwyLRMX |
| Name |
2-[4-[[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]phenoxy]acetic acid methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
465.091390387 u |
| Formula |
C24H20ClN3O3S |
| InChI |
InChI=1S/C24H20ClN3O3S/c1-30-22(29)15-31-21-13-7-17(8-14-21)16-32-24-27-26-23(18-9-11-19(25)12-10-18)28(24)20-5-3-2-4-6-20/h2-14H,15-16H2,1H3 |
| InChIKey |
GRXKLVJEWWYKRI-UHFFFAOYSA-N |
| Molecular Weight |
465.955 g/mol |
| SMILES |
C1=CC=C(N2C(=NN=C2SCC=2C=CC(OCC(=O)OC)=CC2)C=2C=CC(=CC2)Cl)C=C1 |
![2-[4-[[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]phenoxy]acetic acid methyl ester](/api/spectrum/LQkZiwyLRMX/structure.png?h=300&w=458 "2-[4-[[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]phenoxy]acetic acid methyl ester")
