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3-(4-chlorophenyl)-5-((3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene-2-thioxothiazolidin-4-one)
SpectraBase Compound ID 5DV2MGNd8zO
InChI InChI=1S/C25H15ClN4O3S2/c26-18-8-12-20(13-9-18)29-24(31)22(35-25(29)34)14-17-15-28(19-4-2-1-3-5-19)27-23(17)16-6-10-21(11-7-16)30(32)33/h1-15H
InChIKey RTNPTYNTUIBPGE-UHFFFAOYSA-N
Mol Weight 518.99 g/mol
Molecular Formula C25H15ClN4O3S2
Exact Mass 518.02741 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CygWC9aWp0i
Name 3-(4-chlorophenyl)-5-((3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene-2-thioxothiazolidin-4-one)
Appearance Yellow crystalline solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H15ClN4O3S2
InChI InChI=1S/C25H15ClN4O3S2/c26-18-8-12-20(13-9-18)29-24(31)22(35-25(29)34)14-17-15-28(19-4-2-1-3-5-19)27-23(17)16-6-10-21(11-7-16)30(32)33/h1-15H
InChIKey RTNPTYNTUIBPGE-UHFFFAOYSA-N
Instrument Name Shimadzu QP2010
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2013.05.029
Molecular Weight 518.993 g/mol
SMILES C(c1c(n[n](c1)-c1ccccc1)-c1ccc(cc1)[N+](=O)[O-])=C1C(N(C(S1)=S)c1ccc(cc1)Cl)=O
SPLASH splash10-00di-0695010000-2b9751583d4e740ff6a8
Source of Spectrum AJC-10-SM15-3d
Wiley ID 1857157