| SpectraBase Spectrum ID |
JX7hUXwJl8C |
| Name |
[2-((E)-{[3-(3-phenyl-1H-pyrazol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenoxy]acetic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
420.100459570 u |
| Formula |
C20H16N6O3S |
| InChI |
InChI=1S/C20H16N6O3S/c27-18(28)12-29-17-9-5-4-8-14(17)11-21-26-19(24-25-20(26)30)16-10-15(22-23-16)13-6-2-1-3-7-13/h1-11H,12H2,(H,22,23)(H,25,30)(H,27,28)/b21-11+ |
| InChIKey |
OALFCMWMFNZHKL-SRZZPIQSSA-N |
| Molecular Weight |
420.447 g/mol |
| SMILES |
SC1=NN=C(N1\N=C\C=1C(OCC(=O)O)=CC=CC1)C1=CC(C=2C=CC=CC2)=NN1 |
![[2-((E)-{[3-(3-phenyl-1H-pyrazol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenoxy]acetic acid](/api/spectrum/JX7hUXwJl8C/structure.png?h=300&w=458 "[2-((E)-{[3-(3-phenyl-1H-pyrazol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenoxy]acetic acid")
