| SpectraBase Spectrum ID |
HDgRTcdX4Gd |
| Name |
2-(p-Tolyl)-3-(3'-chlorophenyl)-3H-[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 |
386.093438818 u |
| Formula |
C22H15ClN4O |
| InChI |
InChI=1S/C22H15ClN4O/c1-14-9-11-15(12-10-14)20-25-27-21(28)18-7-2-3-8-19(18)24-22(27)26(20)17-6-4-5-16(23)13-17/h2-13H,1H3 |
| InChIKey |
IUCHMWUMKFPCEV-UHFFFAOYSA-N |
| Molecular Weight |
386.842 g/mol |
| SMILES |
C=12N(N=C(N2C=2C=C(Cl)C=CC2)C=2C=CC(=CC2)C)C(C2=C(N1)C=CC=C2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874927 |
![2-(p-Tolyl)-3-(3'-chlorophenyl)-3H-[1,2,4]triazolo[5,1-b]quinazolin-9-one](/api/spectrum/HDgRTcdX4Gd/structure.png?h=300&w=458 "2-(p-Tolyl)-3-(3'-chlorophenyl)-3H-[1,2,4]triazolo[5,1-b]quinazolin-9-one")
