SpectraBase Spectrum ID |
2xtZTn2Nxa3 |
Name |
1-(3-(Benzo[d][1,3]dioxol-5-yl)-5-{2-[bis(2-chloroethyl)amino]-4-chlorothiazol-5-yl}-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one |
Appearance |
Pale yellow solid |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C19H19Cl3N4O3S |
InChI |
InChI=1S/C19H19Cl3N4O3S/c1-11(27)26-14(17-18(22)23-19(30-17)25(6-4-20)7-5-21)9-13(24-26)12-2-3-15-16(8-12)29-10-28-15/h2-3,8,14H,4-7,9-10H2,1H3 |
InChIKey |
QQGOWSXQMQACBR-UHFFFAOYSA-N |
Instrument Name |
Shimadzu-GCMS-QP2010 |
Ionization Type |
EI |
Literature Reference DOI |
10.1002/ardp.201900351 |
Molecular Weight |
489.805 g/mol |
SMILES |
C(C)(=O)N1N=C(CC1c1c(nc(s1)N(CCCl)CCCl)Cl)c1ccc2c(OCO2)c1 |
SPLASH |
splash10-0a4l-9001300000-a8df1ade4f684e9f6d4b |
Source of Spectrum |
APC-353-15-6d |
Wiley ID |
1839656 |