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1-(4-(4'-chlorophenyl)-2-thiazolyl)-3-(4-aminophenyl)-5-(2-butyl-4-chloro-1H-imidazol-5yl)-2-pyrazoline
SpectraBase Compound ID D2oyMRnt9fF
InChI InChI=1S/C25H24Cl2N6S/c1-2-3-4-22-30-23(24(27)31-22)21-13-19(15-7-11-18(28)12-8-15)32-33(21)25-29-20(14-34-25)16-5-9-17(26)10-6-16/h5-12,14,21H,2-4,13,28H2,1H3,(H,30,31)
InChIKey CQNPJVINSHOTME-UHFFFAOYSA-N
Mol Weight 511.48 g/mol
Molecular Formula C25H24Cl2N6S
Exact Mass 510.116021 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F1xsxePSGWH
Name 1-(4-(4'-chlorophenyl)-2-thiazolyl)-3-(4-aminophenyl)-5-(2-butyl-4-chloro-1H-imidazol-5yl)-2-pyrazoline
Alternate Name(s) 4-[3-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-[4-(4-chlorophenyl)-2-thiazolyl]-3,4-dihydropyrazol-5-yl]aniline 4-[3-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,4-dihydropyrazol-5-yl]aniline 4-[3-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-[4-(4-chlorophenyl)thiazol-2-yl]-3,4-dihydropyrazol-5-yl]aniline 4-[3-(2-butyl-4-chloranyl-1H-imidazol-5-yl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,4-dihydropyrazol-5-yl]aniline
Comments Less than 3 mono-isotopic peaks
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Formula C25H24Cl2N6S
InChI InChI=1S/C25H24Cl2N6S/c1-2-3-4-22-30-23(24(27)31-22)21-13-19(15-7-11-18(28)12-8-15)32-33(21)25-29-20(14-34-25)16-5-9-17(26)10-6-16/h5-12,14,21H,2-4,13,28H2,1H3,(H,30,31)
InChIKey CQNPJVINSHOTME-UHFFFAOYSA-N
Molecular Weight 511.475 g/mol
SMILES [nH]1c(nc(c1C1N(N=C(c2ccc(cc2)N)C1)c1nc(-c2ccc(cc2)Cl)cs1)Cl)CCCC
SPLASH splash10-03di-0000090000-8989f120d9e93d096ff1
Source of Spectrum F2-45-390-3h
Wiley ID 1688824