| SpectraBase Spectrum ID |
KQIiQCmY3Os |
| Name |
2-(1,3-Dithietan-2-ylidene)-5-(4-methoxyphenyl)-7-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 |
424.037391283 u |
| Formula |
C21H16N2O2S3 |
| InChI |
InChI=1S/C21H16N2O2S3/c1-25-15-9-7-14(8-10-15)17-11-16(13-5-3-2-4-6-13)22-21-23(17)19(24)18(28-21)20-26-12-27-20/h2-11,17H,12H2,1H3 |
| InChIKey |
UKBVJUMDNSRTJS-UHFFFAOYSA-N |
| Molecular Weight |
424.551 g/mol |
| SMILES |
C1SC(=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) |
0.921137 |
![2-(1,3-Dithietan-2-ylidene)-5-(4-methoxyphenyl)-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one](/api/spectrum/KQIiQCmY3Os/structure.png?h=300&w=458 "2-(1,3-Dithietan-2-ylidene)-5-(4-methoxyphenyl)-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one")
