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1-(4-bromophenyl)-2-(4-nitrophenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazole-3-thione
SpectraBase Compound ID KOFIjHC9Iui
InChI InChI=1S/C17H15BrN4O2S/c18-13-4-2-12(3-5-13)16-19-10-1-11-20(19)17(25)21(16)14-6-8-15(9-7-14)22(23)24/h2-9,16H,1,10-11H2
InChIKey DTKDZTRLCCSDEB-UHFFFAOYSA-N
Mol Weight 419.3 g/mol
Molecular Formula C17H15BrN4O2S
Exact Mass 418.00991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5BJNqKnJc8
Name 1-(4-bromophenyl)-2-(4-nitrophenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazole-3-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15BrN4O2S
InChI InChI=1S/C17H15BrN4O2S/c18-13-4-2-12(3-5-13)16-19-10-1-11-20(19)17(25)21(16)14-6-8-15(9-7-14)22(23)24/h2-9,16H,1,10-11H2
InChIKey DTKDZTRLCCSDEB-UHFFFAOYSA-N
Molecular Weight 419.297 g/mol
SMILES c1cc(C2N3CCCN3C(N2c2ccc(N(=O)=O)cc2)=S)ccc1Br
SPLASH splash10-000i-6590000000-65be9ceafab23a5b591b
Synonyms 3-(4-Bromophenyl)-2-(4-nitrophenyl)tetrahydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazole-1-thione
Wiley ID 1443018