| SpectraBase Spectrum ID |
Jk2doL2seVg |
| Name |
5-(4-Chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methyl-1,2,4-triazole-3-thione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.101895502 u |
| Formula |
C19H19ClN4S |
| InChI |
InChI=1S/C19H19ClN4S/c1-22-18(15-6-8-17(20)9-7-15)21-24(19(22)25)13-23-11-10-14-4-2-3-5-16(14)12-23/h2-9H,10-13H2,1H3 |
| InChIKey |
OEIGCTCTTRWADJ-UHFFFAOYSA-N |
| Molecular Weight |
370.902 g/mol |
| SMILES |
C1=CC=2CCN(CN3C(N(C)C(=N3)C=3C=CC(=CC3)Cl)=S)CC2C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920278 |
