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5-(4-bromobenzylidene)-2-(3-(4-bromophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)thiazol-4(5H)-one
SpectraBase Compound ID 3drzculPBvW
InChI InChI=1S/C23H15Br2N3O2S/c24-16-7-3-14(4-8-16)12-21-22(29)26-23(31-21)28-19(20-2-1-11-30-20)13-18(27-28)15-5-9-17(25)10-6-15/h1-12,19H,13H2/b21-12+
InChIKey MRNJLAGUJBEEEJ-CIAFOILYSA-N
Mol Weight 557.26 g/mol
Molecular Formula C23H15Br2N3O2S
Exact Mass 554.925174 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jpc8ubsXx8i
Name 5-(4-bromobenzylidene)-2-(3-(4-bromophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)thiazol-4(5H)-one
Alternate Name(s) (E)-5-(4-bromobenzylidene)-2-(3-(4-bromophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)thiazol-4(5H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H15Br2N3O2S
InChI InChI=1S/C23H15Br2N3O2S/c24-16-7-3-14(4-8-16)12-21-22(29)26-23(31-21)28-19(20-2-1-11-30-20)13-18(27-28)15-5-9-17(25)10-6-15/h1-12,19H,13H2/b21-12+
InChIKey MRNJLAGUJBEEEJ-CIAFOILYSA-N
Literature Reference DOI 10.1002/ardp.200300796
Molecular Weight 557.260 g/mol
SMILES C1(\C(SC(=N1)N1C(CC(=N1)c1ccc(cc1)Br)c1occc1)=C/c1ccc(cc1)Br)=O
SPLASH splash10-001i-2210090000-27e584737ca352ee7418
Source of Spectrum APP-336-558-9a
Wiley ID 1770691