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5-(4-(Benzyloxy)phenyl)-3-(4-bromophenyl)-1-thiocarbamoyl-4,5-dihydro-1H-pyrazole

View entire compound with spectra: 1 MS (GC)

5-(4-(Benzyloxy)phenyl)-3-(4-bromophenyl)-1-thiocarbamoyl-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID 2HJ7sq9PSMs
InChI InChI=1S/C23H20BrN3OS/c24-19-10-6-17(7-11-19)21-14-22(27(26-21)23(25)29)18-8-12-20(13-9-18)28-15-16-4-2-1-3-5-16/h1-13,22H,14-15H2,(H2,25,29)
InChIKey DUVAZFUOSBRTIF-UHFFFAOYSA-N
Mol Weight 466.4 g/mol
Molecular Formula C23H20BrN3OS
Exact Mass 465.051046 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5DIXAYLe9SB
Name 5-(4-(Benzyloxy)phenyl)-3-(4-bromophenyl)-1-thiocarbamoyl-4,5-dihydro-1H-pyrazole
Alternate Name(s) 3-(4-benzyloxyphenyl)-5-(4-bromophenyl)-3,4-dihydropyrazole-2-carbothioamide 5-(4-bromophenyl)-3-(4-phenylmethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20BrN3OS
InChI InChI=1S/C23H20BrN3OS/c24-19-10-6-17(7-11-19)21-14-22(27(26-21)23(25)29)18-8-12-20(13-9-18)28-15-16-4-2-1-3-5-16/h1-13,22H,14-15H2,(H2,25,29)
InChIKey DUVAZFUOSBRTIF-UHFFFAOYSA-N
Molecular Weight 466.397 g/mol
SMILES NC(=S)N1N=C(CC1c1ccc(cc1)OCc1ccccc1)c1ccc(cc1)Br
SPLASH splash10-0006-9210400000-dcd52d8f3c2712e52c79
Source of Spectrum F2-44-3751-10
Wiley ID 1716586