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1-(4-(4'-chlorophenyl)-2-thiazolyl)-3-(5-chloro-2-hydroxy-3-iodophenyl)-5-(2-butyl-4-chloro-1H-imidazol-5yl)-2-pyrazoline

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1-(4-(4'-chlorophenyl)-2-thiazolyl)-3-(5-chloro-2-hydroxy-3-iodophenyl)-5-(2-butyl-4-chloro-1H-imidazol-5yl)-2-pyrazoline
SpectraBase Compound ID 4C75FmL2x48
InChI InChI=1S/C25H21Cl3IN5OS/c1-2-3-4-21-31-22(24(28)32-21)20-11-18(16-9-15(27)10-17(29)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 JWQRFJADKWVJFY-UHFFFAOYSA-N
Mol Weight 672.8 g/mol
Molecular Formula C25H21Cl3IN5OS
Exact Mass 670.95771 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CJ359rdg5lK
Name 1-(4-(4'-chlorophenyl)-2-thiazolyl)-3-(5-chloro-2-hydroxy-3-iodophenyl)-5-(2-butyl-4-chloro-1H-imidazol-5yl)-2-pyrazoline
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H21Cl3IN5OS
InChI InChI=1S/C25H21Cl3IN5OS/c1-2-3-4-21-31-22(24(28)32-21)20-11-18(16-9-15(27)10-17(29)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 JWQRFJADKWVJFY-UHFFFAOYSA-N
Molecular Weight 672.800 g/mol
SMILES [nH]1c(nc(c1C1N(N=C(c2c(c(cc(c2)Cl)I)O)C1)c1nc(-c2ccc(cc2)Cl)cs1)Cl)CCCC
SPLASH splash10-00di-0000009000-42e2e3234da744714735
Source of Spectrum F2-45-390-3c
Wiley ID 1688828