SpectraBase Spectrum ID |
1DQL1d3AnaP |
Name |
N-(4-Bromophenyl)-2-[(3-ethyl-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl]acetamide |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
417.014660939 u |
Formula |
C18H16BrN3O2S |
InChI |
InChI=1S/C18H16BrN3O2S/c1-2-22-17(24)14-5-3-4-6-15(14)21-18(22)25-11-16(23)20-13-9-7-12(19)8-10-13/h3-10H,2,11H2,1H3,(H,20,23) |
InChIKey |
XSCLSHCIRIXUGQ-UHFFFAOYSA-N |
Molecular Weight |
418.309 g/mol |
SMILES |
N(C(CSC=1N(C(C2=C(C=CC=C2)N1)=O)CC)=O)C=1C=CC(=CC1)Br |