| SpectraBase Spectrum ID |
9Zcy0m4Q8LR |
| Name |
1-(p-Chlorophenyl)-3-{{p-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl}sulfonyl}-2-thiourea |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
541.991951416 u |
| Formula |
C21H14ClF3N4O2S3 |
| InChI |
InChI=1S/C21H14ClF3N4O2S3/c22-13-3-5-14(6-4-13)26-20(32)28-34(30,31)16-9-7-15(8-10-16)29-17(18-2-1-11-33-18)12-19(27-29)21(23,24)25/h1-12H,(H2,26,28,32) |
| InChIKey |
JHDJFPVXIZPAOX-UHFFFAOYSA-N |
| Molecular Weight |
542.997 g/mol |
| SMILES |
C(F)(F)(F)C=1C=C(N(C2=CC=C(S(=O)(=O)NC(NC=3C=CC(=CC3)Cl)=S)C=C2)N1)C1=CC=CS1 |
![1-(p-Chlorophenyl)-3-{{p-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl}sulfonyl}-2-thiourea](/api/spectrum/9Zcy0m4Q8LR/structure.png?h=300&w=458 "1-(p-Chlorophenyl)-3-{{p-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl}sulfonyl}-2-thiourea")
