| SpectraBase Spectrum ID |
2L7ZzZRdU74 |
| Name |
5-(4-Bromophenyl)-2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-7-(4-methoxyphenyl)-5H-[1,3]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 |
541.979204380 u |
| Formula |
C24H19BrN2O2S3 |
| InChI |
InChI=1S/C24H19BrN2O2S3/c1-13-14(2)31-23(30-13)21-22(28)27-20(16-4-8-17(25)9-5-16)12-19(26-24(27)32-21)15-6-10-18(29-3)11-7-15/h4-12,20H,1-3H3 |
| InChIKey |
VIEPXJBDTPVOJP-UHFFFAOYSA-N |
| Molecular Weight |
543.512 g/mol |
| SMILES |
C1=C(C2=CC=C(C=C2)OC)N=C2SC(C(N2C1C1=CC=C(C=C1)Br)=O)=C1SC(=C(S1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850542 |
![5-(4-bromophenyl)-2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-7-(4-methoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one](/api/spectrum/2L7ZzZRdU74/structure.png?h=300&w=458 "5-(4-bromophenyl)-2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-7-(4-methoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one")
