| SpectraBase Spectrum ID |
Fm8gKxfTXcD |
| Name |
(2S)-2-(4-Chlorophenyl)-4-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-2,3-dihydrobenzo[b][1,4] thiazepine |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H20ClN3S |
| InChI |
InChI=1S/C25H20ClN3S/c1-17-21(16-27-29(17)20-7-3-2-4-8-20)23-15-25(18-11-13-19(26)14-12-18)30-24-10-6-5-9-22(24)28-23/h2-14,16,25H,15H2,1H3/t25-/m0/s1 |
| InChIKey |
MDDRQQTZUAALMM-VWLOTQADSA-N |
| Instrument Name |
AEI MS 30 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2455 |
| Molecular Weight |
429.969 g/mol |
| SMILES |
c1(Cl)ccc(cc1)[C@@]1(CC(=Nc2c(S1)cccc2)c1cn[n](c1C)-c1ccccc1)[H] |
| SPLASH |
splash10-0kdi-9601100000-93a006a50cd8e3365063 |
| Source of Spectrum |
Y-53-1507-12a |
| Wiley ID |
1876599 |
![(2S)-2-(4-Chlorophenyl)-4-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-2,3-dihydrobenzo[b][1,4] thiazepine](/api/spectrum/Fm8gKxfTXcD/structure.png?h=300&w=458 "(2S)-2-(4-Chlorophenyl)-4-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-2,3-dihydrobenzo[b][1,4] thiazepine")
