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1-(4-(4'-chlorophenyl)-2-thiazolyl)-3-(4-chlorophenyl)-5-(2-butyl-4-chloro-1H-imidazol-5yl)-2-pyrazoline
SpectraBase Compound ID 3x1w9bthg8l
InChI InChI=1S/C25H22Cl3N5S/c1-2-3-4-22-30-23(24(28)31-22)21-13-19(15-5-9-17(26)10-6-15)32-33(21)25-29-20(14-34-25)16-7-11-18(27)12-8-16/h5-12,14,21H,2-4,13H2,1H3,(H,30,31)
InChIKey GUXJYPORROSEQF-UHFFFAOYSA-N
Mol Weight 530.91 g/mol
Molecular Formula C25H22Cl3N5S
Exact Mass 529.06615 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8li7oV6QyQG
Name 1-(4-(4'-chlorophenyl)-2-thiazolyl)-3-(4-chlorophenyl)-5-(2-butyl-4-chloro-1H-imidazol-5yl)-2-pyrazoline
Comments Less than 3 mono-isotopic peaks
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Formula C25H22Cl3N5S
InChI InChI=1S/C25H22Cl3N5S/c1-2-3-4-22-30-23(24(28)31-22)21-13-19(15-5-9-17(26)10-6-15)32-33(21)25-29-20(14-34-25)16-7-11-18(27)12-8-16/h5-12,14,21H,2-4,13H2,1H3,(H,30,31)
InChIKey GUXJYPORROSEQF-UHFFFAOYSA-N
Molecular Weight 530.905 g/mol
SMILES [nH]1c(nc(c1C1N(c2nc(-c3ccc(cc3)Cl)cs2)N=C(c2ccc(cc2)Cl)C1)Cl)CCCC
SPLASH splash10-000i-0090000000-7767e5d72d28479ee899
Source of Spectrum F2-45-390-3b
Synonyms 2-[3-(2-butyl-4-chloro-1H-imidazol-5-yl)-5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-4-(4-chlorophenyl)-1,3-thiazole 2-[3-(2-butyl-4-chloro-1H-imidazol-5-yl)-5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-4-(4-chlorophenyl)thiazole 2-[3-(2-butyl-4-chloranyl-1H-imidazol-5-yl)-5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-4-(4-chlorophenyl)-1,3-thiazole
Wiley ID 1688829