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(5Z)-5-(2-chlorobenzylidene)-2-[4-(3-chloro-4-methylphenyl)-1-piperazinyl]-1,3-thiazol-4(5H)-one
SpectraBase Compound ID APtsmmeujEF
InChI InChI=1S/C21H19Cl2N3OS/c1-14-6-7-16(13-18(14)23)25-8-10-26(11-9-25)21-24-20(27)19(28-21)12-15-4-2-3-5-17(15)22/h2-7,12-13H,8-11H2,1H3/b19-12-
InChIKey SDXXONTWFMSNTN-UNOMPAQXSA-N
Mol Weight 432.37 g/mol
Molecular Formula C21H19Cl2N3OS
Exact Mass 431.062589 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CCwFT8Qq3dT
Name (5Z)-5-(2-Chlorobenzylidene)-2-[4-(3-chloro-4-methylphenyl)-1-piperazinyl]-1,3-thiazol-4(5H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 431.062588817 u
Formula C21H19Cl2N3OS
InChI InChI=1S/C21H19Cl2N3OS/c1-14-6-7-16(13-18(14)23)25-8-10-26(11-9-25)21-24-20(27)19(28-21)12-15-4-2-3-5-17(15)22/h2-7,12-13H,8-11H2,1H3/b19-12-
InChIKey SDXXONTWFMSNTN-UNOMPAQXSA-N
Molecular Weight 432.369 g/mol
SMILES C=1C=CC(\C=C\2C(N=C(S2)N2CCN(CC2)C2=CC(Cl)=C(C=C2)C)=O)=C(Cl)C1