| SpectraBase Spectrum ID |
AC33JuzMuk6 |
| Name |
N-(2,3-Dimethylphenyl)-2-{[4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
458.177647265 u |
| Formula |
C26H26N4O2S |
| InChI |
InChI=1S/C26H26N4O2S/c1-18-12-14-21(15-13-18)30-24(16-32-22-9-5-4-6-10-22)28-29-26(30)33-17-25(31)27-23-11-7-8-19(2)20(23)3/h4-15H,16-17H2,1-3H3,(H,27,31) |
| InChIKey |
MZBPAFFTNMRGFH-UHFFFAOYSA-N |
| Molecular Weight |
458.580 g/mol |
| SMILES |
N(C=1C(=C(C)C=CC1)C)C(CSC=1N(C(=NN1)COC1=CC=CC=C1)C=1C=CC(=CC1)C)=O |
![N-(2,3-dimethylphenyl)-2-{[4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide](/api/spectrum/AC33JuzMuk6/structure.png?h=300&w=458 "N-(2,3-dimethylphenyl)-2-{[4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide")
