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3-(4-chlorophenyl)-5-((3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene-2-thioxothiazolidin-4-one)
SpectraBase Compound ID E8k7jKr1c3s
InChI InChI=1S/C25H15ClFN3OS2/c26-18-8-12-21(13-9-18)30-24(31)22(33-25(30)32)14-17-15-29(20-4-2-1-3-5-20)28-23(17)16-6-10-19(27)11-7-16/h1-15H
InChIKey ZSEHHMRQEIKCKZ-UHFFFAOYSA-N
Mol Weight 491.99 g/mol
Molecular Formula C25H15ClFN3OS2
Exact Mass 491.03291 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cl747KVxV2I
Name 3-(4-chlorophenyl)-5-((3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene-2-thioxothiazolidin-4-one)
Appearance Yellow crystalline solid
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Formula C25H15ClFN3OS2
InChI InChI=1S/C25H15ClFN3OS2/c26-18-8-12-21(13-9-18)30-24(31)22(33-25(30)32)14-17-15-29(20-4-2-1-3-5-20)28-23(17)16-6-10-19(27)11-7-16/h1-15H
InChIKey ZSEHHMRQEIKCKZ-UHFFFAOYSA-N
Instrument Name Shimadzu QP2010
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2013.05.029
Molecular Weight 491.986 g/mol
SMILES C(c1c(n[n](c1)-c1ccccc1)-c1ccc(cc1)F)=C1C(N(C(S1)=S)c1ccc(cc1)Cl)=O
SPLASH splash10-0006-0590200000-f74e7259671b027734d6
Source of Spectrum AJC-10-SM16-3e
Wiley ID 1857158