| SpectraBase Spectrum ID |
5gZCNdnsfac |
| Name |
2-(1,3-Dithiolan-2-ylidene)-5-(4-methoxyphenyl)-7-phenyl-5H-thiazolo[3,2-A]pyrimidin-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
438.053041348 u |
| Formula |
C22H18N2O2S3 |
| InChI |
InChI=1S/C22H18N2O2S3/c1-26-16-9-7-15(8-10-16)18-13-17(14-5-3-2-4-6-14)23-22-24(18)20(25)19(29-22)21-27-11-12-28-21/h2-10,13,18H,11-12H2,1H3 |
| InChIKey |
WZMBNJOIFYVWAO-UHFFFAOYSA-N |
| Molecular Weight |
438.578 g/mol |
| SMILES |
C1CSC(=C2SC=3N(C2=O)C(C=2C=CC(=CC2)OC)C=C(C2=CC=CC=C2)N3)S1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926227 |
![2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-7-phenyl-5H-thiazolo[3,2-a]pyrimidin-3-one](/api/spectrum/5gZCNdnsfac/structure.png?h=300&w=458 "2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-7-phenyl-5H-thiazolo[3,2-a]pyrimidin-3-one")
