| SpectraBase Spectrum ID |
drRiF2LrzB |
| Name |
1,2,4-Triazine-6-carbonitrile, 2,3,4,5-tetrahydro-5-oxo-2,4-diphenyl-3-thioxo- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.057532131 u |
| Formula |
C16H10N4OS |
| InChI |
InChI=1S/C16H10N4OS/c17-11-14-15(21)19(12-7-3-1-4-8-12)16(22)20(18-14)13-9-5-2-6-10-13/h1-10H |
| InChIKey |
ITWPXRMRGUAHRG-UHFFFAOYSA-N |
| Molecular Weight |
306.343 g/mol |
| SMILES |
C1(N(C(=O)C(=NN1C1=CC=CC=C1)C#N)C=1C=CC=CC1)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8119 |
