| SpectraBase Spectrum ID |
BGS40SwSBJi |
| Name |
2-[3-Phenyl-4(3H)-quinazolinone-2-ylmethylthio]-4(3H)-quinazolinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.099396943 u |
| Formula |
C23H16N4O2S |
| InChI |
InChI=1S/C23H16N4O2S/c28-21-16-10-4-6-12-18(16)25-23(26-21)30-14-20-24-19-13-7-5-11-17(19)22(29)27(20)15-8-2-1-3-9-15/h1-13H,14H2,(H,25,26,28) |
| InChIKey |
RDVYEMWVVVBOMP-UHFFFAOYSA-N |
| Molecular Weight |
412.467 g/mol |
| SMILES |
C12=CC=CC=C2C(NC(=N1)SCC=1N(C(C=2C(N1)=CC=CC2)=O)C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961279 |
![2-[3-Phenyl-4(3H)-quinazolinone-2-ylmethylthio]-4(3H)-quinazolinone](/api/spectrum/BGS40SwSBJi/structure.png?h=300&w=458 "2-[3-Phenyl-4(3H)-quinazolinone-2-ylmethylthio]-4(3H)-quinazolinone")
