| SpectraBase Spectrum ID |
ARYNQrm4eyw |
| Name |
4-[({4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzonitrile |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
364.135782453 u |
| Formula |
C20H20N4OS |
| InChI |
InChI=1S/C20H20N4OS/c1-3-24-19(13-25-18-10-4-15(2)5-11-18)22-23-20(24)26-14-17-8-6-16(12-21)7-9-17/h4-11H,3,13-14H2,1-2H3 |
| InChIKey |
SZAKWCMAJDDKGG-UHFFFAOYSA-N |
| Molecular Weight |
364.467 g/mol |
| SMILES |
CCN1C(=NN=C1COC1=CC=C(C=C1)C)SCC1=CC=C(C#N)C=C1 |
![4-[({4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzonitrile](/api/spectrum/ARYNQrm4eyw/structure.png?h=300&w=458 "4-[({4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzonitrile")
