| SpectraBase Spectrum ID |
7A503n8BaEx |
| Name |
4a,5,11,11a-Tetrahydro-5-methyl-4a-methylthio-1,4-bis(trifluoromethyl)pyridazino[4,5-c][1,5]benzothiazepine |
| Alternate Name(s) |
5-Methyl-4a-(methylsulfanyl)-1,4-bis(trifluoromethyl)-4a,5,11,11a-tetrahydropyridazino[4,5-c][1,5]benzothiazepine
Methyl 5-methyl-1,4-bis(trifluoromethyl)-11,11a-dihydropyridazino[4,5-c][1,5]benzothiazepin-4a(5H)-yl sulfide |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H13F6N3S2 |
| InChI |
InChI=1S/C15H13F6N3S2/c1-24-9-5-3-4-6-10(9)26-7-8-11(14(16,17)18)22-23-12(15(19,20)21)13(8,24)25-2/h3-6,8H,7H2,1-2H3 |
| InChIKey |
JJFROZQHRKFUDT-UHFFFAOYSA-N |
| Molecular Weight |
413.400 g/mol |
| SMILES |
C12(C(C(C(F)(F)F)=NN=C2C(F)(F)F)CSc2c(N1C)cccc2)SC |
| SPLASH |
splash10-0ldr-0309000000-6e67e18590f71900b162 |
| Source of Spectrum |
H1-43-1972-12 |
| Wiley ID |
757959 |
![4A,5,11,1A-TETRAHYDRO-5-METHYL-4A-METHYLTHIO-1,4-BIS-(TRIFLUOROMETHYL)-PYRIDAZINO-[4,5-C]-[1,5]-BENZOTHIAZEPINE](/api/spectrum/7A503n8BaEx/structure.png?h=300&w=458 "4A,5,11,1A-TETRAHYDRO-5-METHYL-4A-METHYLTHIO-1,4-BIS-(TRIFLUOROMETHYL)-PYRIDAZINO-[4,5-C]-[1,5]-BENZOTHIAZEPINE")
