| SpectraBase Spectrum ID |
7LFamteg9Hd |
| Name |
7-(4-Chloro-phenyl)-2-[1,3]dithian-2-ylidene-5-(4-methoxy-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 |
486.029719080 u |
| Formula |
C23H19ClN2O2S3 |
| InChI |
InChI=1S/C23H19ClN2O2S3/c1-28-17-9-5-15(6-10-17)19-13-18(14-3-7-16(24)8-4-14)25-23-26(19)21(27)20(31-23)22-29-11-2-12-30-22/h3-10,13,19H,2,11-12H2,1H3 |
| InChIKey |
VNMJIIUGWKWFKA-UHFFFAOYSA-N |
| Molecular Weight |
487.050 g/mol |
| SMILES |
COC1=CC=C(C2C=C(C3=CC=C(C=C3)Cl)N=C3N2C(C(S3)=C2SCCCS2)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926239 |
![7-(4-Chloro-phenyl)-2-[1,3]dithian-2-ylidene-5-(4-methoxy-phenyl)-5H-thiazolo[3,2-a]pyrimidin-3-one](/api/spectrum/7LFamteg9Hd/structure.png?h=300&w=458 "7-(4-Chloro-phenyl)-2-[1,3]dithian-2-ylidene-5-(4-methoxy-phenyl)-5H-thiazolo[3,2-a]pyrimidin-3-one")
