| SpectraBase Spectrum ID |
C5lgEcqUGCw |
| Name |
5-(Benzylthio)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-4H-1,2,4-triazole-3-acetaldehyde, dimethyl acetal |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
423.122832557 u |
| Formula |
C20H20F3N3O2S |
| InChI |
InChI=1S/C20H20F3N3O2S/c1-27-18(28-2)12-17-24-25-19(29-13-14-7-4-3-5-8-14)26(17)16-10-6-9-15(11-16)20(21,22)23/h3-11,18H,12-13H2,1-2H3 |
| InChIKey |
KGTSFTGSSPQDJA-UHFFFAOYSA-N |
| Molecular Weight |
423.454 g/mol |
| SMILES |
COC(OC)CC=1N(C(=NN1)SCC1=CC=CC=C1)C1=CC(=CC=C1)C(F)(F)F |
