| SpectraBase Spectrum ID |
3D2FCkGyFCc |
| Name |
Tosylate of 8-Chloro-1,3-dimethyl-6-phenyl-4H-s-triazo[4,3-a][1,4]benzodiazepinium |
| CAS Registry Number |
56167-86-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H23ClN4O3S |
| InChI |
InChI=1S/C18H16ClN4.C7H8O3S/c1-12-21-22(2)17-11-20-18(13-6-4-3-5-7-13)15-10-14(19)8-9-16(15)23(12)17;1-6-2-4-7(5-3-6)11(8,9)10/h3-10H,11H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1 |
| InChIKey |
LBYWAWCELTYHDY-UHFFFAOYSA-M |
| Molecular Weight |
494.997 g/mol |
| SMILES |
c1(S([O-])(=O)=O)ccc(cc1)C.c12[n](c(n[n+]2C)C)-c2c(C(=NC1)c1ccccc1)cc(cc2)Cl |
| SPLASH |
splash10-00di-0069000000-36fc7f28b093cc51c629 |
| Source of Spectrum |
J-44-2692-0 |
| Synonyms |
8-Chloro-1,3-dimethyl-6-phenyl-4H-[1,2,4]triazolo[4,5-a][1,4]benzodiazepin-3-ium 4-methylbenzenesulfonate |
| Wiley ID |
1397857 |
![Tosylate of 8-Chloro-1,3-dimethyl-6-phenyl-4H-s-triazo[4,3-a][1,4]benzodiazepinium](/api/spectrum/3D2FCkGyFCc/structure.png?h=300&w=458 "Tosylate of 8-Chloro-1,3-dimethyl-6-phenyl-4H-s-triazo[4,3-a][1,4]benzodiazepinium")
