| SpectraBase Spectrum ID |
2fprraOia5N |
| Name |
4-(5-Chloro-3-methylbenzo[B]thien-2-yl)-2-[(p-methylbenzyl)thio]pyrimidine |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.052168603 u |
| Formula |
C21H17ClN2S2 |
| InChI |
InChI=1S/C21H17ClN2S2/c1-13-3-5-15(6-4-13)12-25-21-23-10-9-18(24-21)20-14(2)17-11-16(22)7-8-19(17)26-20/h3-11H,12H2,1-2H3 |
| InChIKey |
FEMGWTCOGXJGFM-UHFFFAOYSA-N |
| Molecular Weight |
396.954 g/mol |
| SMILES |
C=12C=C(C=CC1SC(=C2C)C=1C=CN=C(N1)SCC=1C=CC(=CC1)C)Cl |
![4-(5-Chloro-3-methylbenzo[B]thien-2-yl)-2-[(p-methylbenzyl)thio]pyrimidine](/api/spectrum/2fprraOia5N/structure.png?h=300&w=458 "4-(5-Chloro-3-methylbenzo[B]thien-2-yl)-2-[(p-methylbenzyl)thio]pyrimidine")
