| SpectraBase Spectrum ID |
INYPJTtxjVE |
| Name |
2-{[4-Allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dichlorophenyl)acetamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
448.052752408 u |
| Formula |
C20H18Cl2N4O2S |
| InChI |
InChI=1S/C20H18Cl2N4O2S/c1-3-9-26-19(13-5-4-6-15(10-13)28-2)24-25-20(26)29-12-18(27)23-14-7-8-16(21)17(22)11-14/h3-8,10-11H,1,9,12H2,2H3,(H,23,27) |
| InChIKey |
KPEKPZKTIHVXRU-UHFFFAOYSA-N |
| Molecular Weight |
449.356 g/mol |
| SMILES |
N(C(CSC=1N(C(=NN1)C=1C=C(OC)C=CC1)CC=C)=O)C1=CC(Cl)=C(C=C1)Cl |
![2-{[4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dichlorophenyl)acetamide](/api/spectrum/INYPJTtxjVE/structure.png?h=300&w=458 "2-{[4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dichlorophenyl)acetamide")
