SpectraBase Spectrum ID |
BWLSK2zJvFi |
Name |
(5E)-2-[4-(3-Chlorophenyl)-1-piperazinyl]-5-(4-ethoxybenzylidene)-1,3-thiazol-4(5H)-one |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
427.112125832 u |
Formula |
C22H22ClN3O2S |
InChI |
InChI=1S/C22H22ClN3O2S/c1-2-28-19-8-6-16(7-9-19)14-20-21(27)24-22(29-20)26-12-10-25(11-13-26)18-5-3-4-17(23)15-18/h3-9,14-15H,2,10-13H2,1H3/b20-14+ |
InChIKey |
CMKNGDOSONWZDB-XSFVSMFZSA-N |
Molecular Weight |
427.950 g/mol |
SMILES |
CCOC1=CC=C(\C=C/2C(N=C(S2)N2CCN(CC2)C2=CC(Cl)=CC=C2)=O)C=C1 |