| SpectraBase Spectrum ID |
OWJ6m2VA5t |
| Name |
2-{[2-(4-Bromophenyl)-2-oxoethyl]sulfanyl}-3-(2-methyl-2-propenyl)-4(3H)-quinazolinone |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
428.019411967 u |
| Formula |
C20H17BrN2O2S |
| InChI |
InChI=1S/C20H17BrN2O2S/c1-13(2)11-23-19(25)16-5-3-4-6-17(16)22-20(23)26-12-18(24)14-7-9-15(21)10-8-14/h3-10H,1,11-12H2,2H3 |
| InChIKey |
NVRYPUNIDXSDSX-UHFFFAOYSA-N |
| Molecular Weight |
429.332 g/mol |
| SMILES |
C1=CC=C2C(N(C(=NC2=C1)SCC(C1=CC=C(C=C1)Br)=O)CC(=C)C)=O |
![2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(2-methyl-2-propenyl)-4(3H)-quinazolinone](/api/spectrum/OWJ6m2VA5t/structure.png?h=300&w=458 "2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(2-methyl-2-propenyl)-4(3H)-quinazolinone")
