| SpectraBase Spectrum ID |
6oRNWbf8n8H |
| Name |
2-(4,5-Dimethyl-1,3-dithiol-2-ylidene)-7-(4-methoxyphenyl)-5-phenyl-5H-[1,3]thiazolo[3,2-A]pyrimidin-3(2H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
464.068691412 u |
| Formula |
C24H20N2O2S3 |
| InChI |
InChI=1S/C24H20N2O2S3/c1-14-15(2)30-23(29-14)21-22(27)26-20(17-7-5-4-6-8-17)13-19(25-24(26)31-21)16-9-11-18(28-3)12-10-16/h4-13,20H,1-3H3 |
| InChIKey |
VEKOFEUPPOVMBW-UHFFFAOYSA-N |
| Molecular Weight |
464.616 g/mol |
| SMILES |
C1=C(C2=CC=C(C=C2)OC)N=C2SC(C(N2C1C1=CC=CC=C1)=O)=C1SC(=C(S1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876351 |
![2-(4,5-Dimethyl-1,3-dithiol-2-ylidene)-7-(4-methoxyphenyl)-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one](/api/spectrum/6oRNWbf8n8H/structure.png?h=300&w=458 "2-(4,5-Dimethyl-1,3-dithiol-2-ylidene)-7-(4-methoxyphenyl)-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one")
