| SpectraBase Spectrum ID |
DwZFhSjuBO4 |
| Name |
7-(Methylthio)-6-phenyl-[1,3,4]thiadiazolo[3,2-A]pyrimidin-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
275.018704269 u |
| Formula |
C12H9N3OS2 |
| InChI |
InChI=1S/C12H9N3OS2/c1-17-10-9(8-5-3-2-4-6-8)11(16)15-12(14-10)18-7-13-15/h2-7H,1H3 |
| InChIKey |
LQMCDGALJKEONP-UHFFFAOYSA-N |
| SMILES |
C1=2N(C(C(=C(N2)SC)C=2C=CC=CC2)=O)N=CS1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946998 |
![7-(Methylthio)-6-phenyl-[1,3,4]thiadiazolo[3,2-A]pyrimidin-5-one](/api/spectrum/DwZFhSjuBO4/structure.png?h=300&w=458 "7-(Methylthio)-6-phenyl-[1,3,4]thiadiazolo[3,2-A]pyrimidin-5-one")
