| SpectraBase Spectrum ID |
KXxmLiuvBbU |
| Name |
2-{[4-(4-Fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
508.158054634 u |
| Formula |
C26H25FN4O4S |
| InChI |
InChI=1S/C26H25FN4O4S/c1-16-5-9-19(10-6-16)28-23(32)15-36-26-30-29-25(31(26)20-11-7-18(27)8-12-20)17-13-21(33-2)24(35-4)22(14-17)34-3/h5-14H,15H2,1-4H3,(H,28,32) |
| InChIKey |
CDZNYZFFPUBYEB-UHFFFAOYSA-N |
| Molecular Weight |
508.568 g/mol |
| SMILES |
N(C(CSC=1N(C(=NN1)C=1C=C(OC)C(=C(C1)OC)OC)C=1C=CC(=CC1)F)=O)C=1C=CC(=CC1)C |
![2-{[4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide](/api/spectrum/KXxmLiuvBbU/structure.png?h=300&w=458 "2-{[4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide")
