| SpectraBase Spectrum ID |
Gyp08KkuFy5 |
| Name |
Methyl-[4-[3,4-dihydro-2-methyl-6-phenyl-3-thioxo-1,2,4-triazin-5(2H)-ylidenebutenal N-methylhydrainedithiocarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
389.080259154 u |
| Formula |
C17H19N5S3 |
| InChI |
InChI=1S/C17H19N5S3/c1-21-16(23)19-14(15(20-21)13-9-5-4-6-10-13)11-7-8-12-18-22(2)17(24)25-3/h4-12H,1-3H3,(H,19,23)/b8-7+,14-11-,18-12+ |
| InChIKey |
YQQVNPZZPGFAIE-BHZJAWCVSA-N |
| Molecular Weight |
389.554 g/mol |
| SMILES |
C=1(\C(NC(N(N1)C)=S)=C\C=C\C=N\N(C(SC)=S)C)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919661 |
