| SpectraBase Spectrum ID |
EaGmOMk3fMa |
| Name |
2-{[4-Allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
416.087388252 u |
| Formula |
C20H18ClFN4OS |
| InChI |
InChI=1S/C20H18ClFN4OS/c1-3-9-26-19(14-5-4-6-15(21)10-14)24-25-20(26)28-12-18(27)23-16-8-7-13(2)17(22)11-16/h3-8,10-11H,1,9,12H2,2H3,(H,23,27) |
| InChIKey |
YYCHTLOUMHSJRK-UHFFFAOYSA-N |
| Molecular Weight |
416.902 g/mol |
| SMILES |
N(C(CSC=1N(C(=NN1)C1=CC(Cl)=CC=C1)CC=C)=O)C1=CC(F)=C(C=C1)C |
![2-{[4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide](/api/spectrum/EaGmOMk3fMa/structure.png?h=300&w=458 "2-{[4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide")
