SpectraBase Spectrum ID |
812Gfa6BISC |
Name |
2-[(9-Keto-3-phenyl-[1,2,4]triazolo[5,1-B]quinazolin-2-yl)thio]acetonitrile |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
333.068431167 u |
Formula |
C17H11N5OS |
InChI |
InChI=1S/C17H11N5OS/c18-10-11-24-17-20-22-15(23)13-8-4-5-9-14(13)19-16(22)21(17)12-6-2-1-3-7-12/h1-9H,11H2 |
InChIKey |
KNBVVEMUHTUFFV-UHFFFAOYSA-N |
Molecular Weight |
333.369 g/mol |
SMILES |
C12=NC=3C=CC=CC3C(N2N=C(N1C=1C=CC=CC1)SCC#N)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928048 |