| SpectraBase Spectrum ID |
ANz7rfIRF9v |
| Name |
2-(4,5-Dimethyl-1,3-dithiol-2-ylidene)-5-phenyl-7-p-phenetyl-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 |
478.084341476 u |
| Formula |
C25H22N2O2S3 |
| InChI |
InChI=1S/C25H22N2O2S3/c1-4-29-19-12-10-17(11-13-19)20-14-21(18-8-6-5-7-9-18)27-23(28)22(32-25(27)26-20)24-30-15(2)16(3)31-24/h5-14,21H,4H2,1-3H3 |
| InChIKey |
DRVLTLPRDICTGR-UHFFFAOYSA-N |
| Molecular Weight |
478.643 g/mol |
| SMILES |
C1=C(C2=CC=C(C=C2)OCC)N=C2SC(C(N2C1C1=CC=CC=C1)=O)=C1SC(=C(S1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837779 |
![2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-phenyl-7-p-phenetyl-5H-thiazolo[3,2-a]pyrimidin-3-one](/api/spectrum/ANz7rfIRF9v/structure.png?h=300&w=458 "2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-phenyl-7-p-phenetyl-5H-thiazolo[3,2-a]pyrimidin-3-one")
