| SpectraBase Spectrum ID |
B1y1nJKN9Wq |
| Name |
1-(5-{2-[Bis(2-chloroethyl)amino]-4-chlorothiazol-5-yl}-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one |
| Appearance |
Pale yellow solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H18Cl3FN4OS |
| InChI |
InChI=1S/C18H18Cl3FN4OS/c1-11(27)26-15(10-14(24-26)12-2-4-13(22)5-3-12)16-17(21)23-18(28-16)25(8-6-19)9-7-20/h2-5,15H,6-10H2,1H3 |
| InChIKey |
XRZMSZSMUWVTQZ-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu-GCMS-QP2010 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ardp.201900351 |
| Molecular Weight |
463.786 g/mol |
| SMILES |
C(C)(=O)N1N=C(CC1c1c(nc(s1)N(CCCl)CCCl)Cl)c1ccc(cc1)F |
| SPLASH |
splash10-0a4i-0109500000-bbdd45416fc700245208 |
| Source of Spectrum |
APC-353-15-6c |
| Wiley ID |
1839655 |
![1-(5-{2-[Bis(2-chloroethyl)amino]-4-chlorothiazol-5-yl}-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one](/api/spectrum/B1y1nJKN9Wq/structure.png?h=300&w=458 "1-(5-{2-[Bis(2-chloroethyl)amino]-4-chlorothiazol-5-yl}-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one")
