SpectraBase Spectrum ID |
2hdNB1QzDeF |
Name |
Thiourea, N-(3-bromobenzoyl)-N'-(4-oxazolo[4,5-B]pyridin-2-ylphenyl)- |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
451.994259847 u |
Formula |
C20H13BrN4O2S |
InChI |
InChI=1S/C20H13BrN4O2S/c21-14-4-1-3-13(11-14)18(26)25-20(28)23-15-8-6-12(7-9-15)19-24-17-16(27-19)5-2-10-22-17/h1-11H,(H2,23,25,26,28) |
InChIKey |
ORHQGXUQOGRXQP-UHFFFAOYSA-N |
Molecular Weight |
453.314 g/mol |
SMILES |
N(C(NC(C=1C=C(Br)C=CC1)=O)=S)C1=CC=C(C2=NC3=C(C=CC=N3)O2)C=C1 |