| SpectraBase Spectrum ID |
1RraSm6uH1Q |
| Name |
3-(4-Chlorophenyl)-2-sulfanylidene-1H-[1,2,4]triazolo[5,1-B]quinazolin-9-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.018559799 u |
| Formula |
C15H9ClN4OS |
| InChI |
InChI=1S/C15H9ClN4OS/c16-9-5-7-10(8-6-9)19-14-17-12-4-2-1-3-11(12)13(21)20(14)18-15(19)22/h1-8H,(H,18,22) |
| InChIKey |
VZYLBIZNUSWHPE-UHFFFAOYSA-N |
| Molecular Weight |
328.777 g/mol |
| SMILES |
C12=NC=3C=CC=CC3C(N2NC(N1C=1C=CC(=CC1)Cl)=S)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815585 |
![3-(4-Chlorophenyl)-2-sulfanylidene-1H-[1,2,4]triazolo[5,1-b]quinazolin-9-one](/api/spectrum/1RraSm6uH1Q/structure.png?h=300&w=458 "3-(4-Chlorophenyl)-2-sulfanylidene-1H-[1,2,4]triazolo[5,1-b]quinazolin-9-one")
