SpectraBase Spectrum ID |
EIsDLk2US0f |
Name |
4-Thiazolidinone, 3-butyl-5-[[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]methylene]-2-thioxo-, (5Z)- |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
425.069025765 u |
Formula |
C21H19N3OS3 |
InChI |
InChI=1S/C21H19N3OS3/c1-2-3-11-23-20(25)18(28-21(23)26)13-15-14-24(16-8-5-4-6-9-16)22-19(15)17-10-7-12-27-17/h4-10,12-14H,2-3,11H2,1H3/b18-13- |
InChIKey |
XOJNEIPBZJSYHA-AQTBWJFISA-N |
Molecular Weight |
425.583 g/mol |
SMILES |
C1=CC=C(N2C=C(\C=C\3C(N(C(S3)=S)CCCC)=O)C(=N2)C=2SC=CC2)C=C1 |