| SpectraBase Spectrum ID |
D2php2BYd9E |
| Name |
2-{[4-Allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-mesitylacetamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
426.128110250 u |
| Formula |
C22H23ClN4OS |
| InChI |
InChI=1S/C22H23ClN4OS/c1-5-9-27-21(17-7-6-8-18(23)12-17)25-26-22(27)29-13-19(28)24-20-15(3)10-14(2)11-16(20)4/h5-8,10-12H,1,9,13H2,2-4H3,(H,24,28) |
| InChIKey |
XJRYPIRZSRCIFO-UHFFFAOYSA-N |
| Molecular Weight |
426.966 g/mol |
| SMILES |
N(C1=C(C=C(C=C1C)C)C)C(CSC=1N(C(=NN1)C1=CC(Cl)=CC=C1)CC=C)=O |
![2-{[4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-mesitylacetamide](/api/spectrum/D2php2BYd9E/structure.png?h=300&w=458 "2-{[4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-mesitylacetamide")
