| SpectraBase Spectrum ID |
HOxAkYqpqX0 |
| Name |
(5E)-5-{[1-(4-Chlorobenzyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylene}-2-thioxo-1,3-thiazolidin-4-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
441.037246813 u |
| Formula |
C21H16ClN3O2S2 |
| InChI |
InChI=1S/C21H16ClN3O2S2/c1-27-17-8-4-14(5-9-17)19-15(10-18-20(26)23-21(28)29-18)12-25(24-19)11-13-2-6-16(22)7-3-13/h2-10,12H,11H2,1H3,(H,23,26,28)/b18-10+ |
| InChIKey |
XFSTVGVXRSCETM-VCHYOVAHSA-N |
| Molecular Weight |
441.951 g/mol |
| SMILES |
N1C(S\C(C1=O)=C/C=1C(=NN(C1)CC=1C=CC(=CC1)Cl)C1=CC=C(C=C1)OC)=S |
![(5E)-5-{[1-(4-chlorobenzyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylene}-2-thioxo-1,3-thiazolidin-4-one](/api/spectrum/HOxAkYqpqX0/structure.png?h=300&w=458 "(5E)-5-{[1-(4-chlorobenzyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylene}-2-thioxo-1,3-thiazolidin-4-one")
