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5-(4-Bromophenyl)-7-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-2-sulfonamide
SpectraBase Compound ID 7GVfdIs90Zl
InChI InChI=1S/C17H13BrN4O2S2/c18-13-8-6-12(7-9-13)15-10-14(11-4-2-1-3-5-11)20-16-22(15)21-17(25-16)26(19,23)24/h1-10,15H,(H2,19,23,24)
InChIKey HNQHEBOBWIEMCG-UHFFFAOYSA-N
Mol Weight 449.34 g/mol
Molecular Formula C17H13BrN4O2S2
Exact Mass 447.966331 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DTaLE4OYpNo
Name 5-(4-Bromophenyl)-7-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-2-sulfonamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13BrN4O2S2
InChI InChI=1S/C17H13BrN4O2S2/c18-13-8-6-12(7-9-13)15-10-14(11-4-2-1-3-5-11)20-16-22(15)21-17(25-16)26(19,23)24/h1-10,15H,(H2,19,23,24)
InChIKey HNQHEBOBWIEMCG-UHFFFAOYSA-N
Molecular Weight 449.341 g/mol
SMILES NS(C1=NN2C(C=C(N=C2S1)c1ccccc1)c1ccc(cc1)Br)(=O)=O
SPLASH splash10-0a4i-0900500000-54fc2b14df0c70655a8f
Source of Spectrum F2-46-3717-4b
Wiley ID 1689673