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1-(4-(4'-chlorophenyl)-2-thiazolyl)-3-(3,5-dichloro-2-hydroxyphenyl)-5-(2-butyl-4-chloro-1H-imidazol-5yl)-2-pyrazoline
SpectraBase Compound ID 40GkMnkliRO
InChI InChI=1S/C25H21Cl4N5OS/c1-2-3-4-21-31-22(24(29)32-21)20-11-18(16-9-15(27)10-17(28)23(16)35)33-34(20)25-30-19(12-36-25)13-5-7-14(26)8-6-13/h5-10,12,20,35H,2-4,11H2,1H3,(H,31,32)
InChIKey BVGALQMLUSUUCD-UHFFFAOYSA-N
Mol Weight 581.3 g/mol
Molecular Formula C25H21Cl4N5OS
Exact Mass 579.022092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BFhiNxAR4jy
Name 1-(4-(4'-chlorophenyl)-2-thiazolyl)-3-(3,5-dichloro-2-hydroxyphenyl)-5-(2-butyl-4-chloro-1H-imidazol-5yl)-2-pyrazoline
Comments Less than 3 mono-isotopic peaks
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Formula C25H21Cl4N5OS
InChI InChI=1S/C25H21Cl4N5OS/c1-2-3-4-21-31-22(24(29)32-21)20-11-18(16-9-15(27)10-17(28)23(16)35)33-34(20)25-30-19(12-36-25)13-5-7-14(26)8-6-13/h5-10,12,20,35H,2-4,11H2,1H3,(H,31,32)
InChIKey BVGALQMLUSUUCD-UHFFFAOYSA-N
Molecular Weight 581.349 g/mol
SMILES [nH]1c(nc(c1C1N(N=C(c2c(c(cc(c2)Cl)Cl)O)C1)c1nc(-c2ccc(cc2)Cl)cs1)Cl)CCCC
SPLASH splash10-001r-0000090000-1bfb54b1b82300ff4504
Source of Spectrum F2-45-391-3p
Wiley ID 1688818