| SpectraBase Spectrum ID |
58SVnNjBF1H |
| Name |
Ethanone, 1-[4-[3-mercapto-5-(4-propoxyphenyl)-4H-1,2,4-triazol-4-yl]phenyl]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
353.119798036 u |
| Formula |
C19H19N3O2S |
| InChI |
InChI=1S/C19H19N3O2S/c1-3-12-24-17-10-6-15(7-11-17)18-20-21-19(25)22(18)16-8-4-14(5-9-16)13(2)23/h4-11H,3,12H2,1-2H3,(H,21,25) |
| InChIKey |
WRMITKVQOFOYTE-UHFFFAOYSA-N |
| Molecular Weight |
353.440 g/mol |
| SMILES |
SC=1N(C(=NN1)C1=CC=C(C=C1)OCCC)C1=CC=C(C=C1)C(=O)C |
![ethanone, 1-[4-[3-mercapto-5-(4-propoxyphenyl)-4H-1,2,4-triazol-4-yl]phenyl]-](/api/spectrum/58SVnNjBF1H/structure.png?h=300&w=458 "ethanone, 1-[4-[3-mercapto-5-(4-propoxyphenyl)-4H-1,2,4-triazol-4-yl]phenyl]-")
