| SpectraBase Spectrum ID |
IWM34gTjcai |
| Name |
3-Chloro-N-[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]-1-benzothiophene-2-carboxamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
409.101561149 u |
| Formula |
C22H20ClN3OS |
| InChI |
InChI=1S/C22H20ClN3OS/c1-13-8-4-5-9-16(13)12-26-15(3)20(14(2)25-26)24-22(27)21-19(23)17-10-6-7-11-18(17)28-21/h4-11H,12H2,1-3H3,(H,24,27) |
| InChIKey |
ZPIKLUHIKLLEIT-UHFFFAOYSA-N |
| Molecular Weight |
409.935 g/mol |
| SMILES |
N(C1=C(N(N=C1C)CC=1C(C)=CC=CC1)C)C(C=1SC=2C=CC=CC2C1Cl)=O |
![3-chloro-N-[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]-1-benzothiophene-2-carboxamide](/api/spectrum/IWM34gTjcai/structure.png?h=300&w=458 "3-chloro-N-[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]-1-benzothiophene-2-carboxamide")
