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N-[2-[6-(4-bromophenyl)-1-methyl-7-sulfanyl-pyrazolo[5,1-c][1,2,4]triazol-3-yl]phenyl]benzamide
SpectraBase Compound ID 3GBqGC6P8G0
InChI InChI=1S/C24H18BrN5OS/c1-29-24-21(32)20(15-11-13-17(25)14-12-15)27-30(24)22(28-29)18-9-5-6-10-19(18)26-23(31)16-7-3-2-4-8-16/h2-14,32H,1H3,(H,26,31)
InChIKey BLNIDIVUVXTBAG-UHFFFAOYSA-N
Mol Weight 504.41 g/mol
Molecular Formula C24H18BrN5OS
Exact Mass 503.041544 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 47UuFA2AKbO
Name N-[2-[6-(4-bromophenyl)-1-methyl-7-sulfanyl-pyrazolo[5,1-c][1,2,4]triazol-3-yl]phenyl]benzamide
CAS Registry Number 106346-46-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H18BrN5OS
InChI InChI=1S/C24H18BrN5OS/c1-29-24-21(32)20(15-11-13-17(25)14-12-15)27-30(24)22(28-29)18-9-5-6-10-19(18)26-23(31)16-7-3-2-4-8-16/h2-14,32H,1H3,(H,26,31)
InChIKey BLNIDIVUVXTBAG-UHFFFAOYSA-N
Molecular Weight 504.406 g/mol
SMILES Sc1c2[n](C(c3c(NC(=O)c4ccccc4)cccc3)=NN2C)nc1-c1ccc(cc1)Br
SPLASH splash10-053r-1900000000-130723cc7c6b8cd448ce
Source of Spectrum Y-23-48-8
Synonyms N-[2-[6-(4-bromophenyl)-7-mercapto-1-methyl-3-pyrazolo[5,1-c][1,2,4]triazolyl]phenyl]benzamide N-[2-[6-(4-bromophenyl)-7-mercapto-1-methyl-pyrazolo[5,1-c][1,2,4]triazol-3-yl]phenyl]benzamide
Wiley ID 1399386