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6-(4-Bromophenyl)-4-(3,4-dimethylphenyl)-2-thiocarbamoylaminocarbamoylmethyl-2,3,4,5-tetrahydropyridazin-3(2H)-one
SpectraBase Compound ID 77YqozoDT4z
InChI InChI=1S/C21H22BrN5O2S/c1-12-3-4-15(9-13(12)2)17-10-18(14-5-7-16(22)8-6-14)26-27(20(17)29)11-19(28)24-25-21(23)30/h3-9,17H,10-11H2,1-2H3,(H,24,28)(H3,23,25,30)
InChIKey GIRBDAJLQIECEJ-UHFFFAOYSA-N
Mol Weight 488.4 g/mol
Molecular Formula C21H22BrN5O2S
Exact Mass 487.067759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BTJzc3gEEB2
Name 6-(4-Bromophenyl)-4-(3,4-dimethylphenyl)-2-thiocarbamoylaminocarbamoylmethyl-2,3,4,5-tetrahydropyridazin-3(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22BrN5O2S
InChI InChI=1S/C21H22BrN5O2S/c1-12-3-4-15(9-13(12)2)17-10-18(14-5-7-16(22)8-6-14)26-27(20(17)29)11-19(28)24-25-21(23)30/h3-9,17H,10-11H2,1-2H3,(H,24,28)(H3,23,25,30)
InChIKey GIRBDAJLQIECEJ-UHFFFAOYSA-N
Molecular Weight 488.404 g/mol
SMILES N(C(CN1N=C(CC(C1=O)c1cc(c(cc1)C)C)c1ccc(cc1)Br)=O)NC(=S)N
SPLASH splash10-00xu-9207000000-245abe868df9e1485cdd
Source of Spectrum QA-55-1248-5
Synonyms 2-(2-(3-(4-bromophenyl)-5-(3,4-dimethylphenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl)acetyl)hydrazine-1-carbothioamide
Wiley ID 1796510