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Benzyl 2-{1-[1-(4-chlorophenyl)-5-oxo-3-(2-propynyl)-2-thioxo-4-imidazolidinyl]propylidene}-1-hydrazinecarboxylate
SpectraBase Compound ID KWqXlFMpKPE
InChI InChI=1S/C23H21ClN4O3S/c1-3-14-27-20(21(29)28(23(27)32)18-12-10-17(24)11-13-18)19(4-2)25-26-22(30)31-15-16-8-6-5-7-9-16/h1,5-13,20H,4,14-15H2,2H3,(H,26,30)/b25-19+
InChIKey WYXDQCFZIFUZIG-NCELDCMTSA-N
Mol Weight 468.96 g/mol
Molecular Formula C23H21ClN4O3S
Exact Mass 468.102289 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 56CnFVPeiWd
Name Benzyl 2-{1-[1-(4-chlorophenyl)-5-oxo-3-(2-propynyl)-2-thioxo-4-imidazolidinyl]propylidene}-1-hydrazinecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H21ClN4O3S
InChI InChI=1S/C23H21ClN4O3S/c1-3-14-27-20(21(29)28(23(27)32)18-12-10-17(24)11-13-18)19(4-2)25-26-22(30)31-15-16-8-6-5-7-9-16/h1,5-13,20H,4,14-15H2,2H3,(H,26,30)/b25-19+
InChIKey WYXDQCFZIFUZIG-NCELDCMTSA-N
Literature Reference DOI 10.1039/c4ob00676c
Molecular Weight 468.959 g/mol
SMILES N(C(OCc1ccccc1)=O)\N=C\(C1C(N(C(N1CC#C)=S)c1ccc(cc1)Cl)=O)CC
SPLASH splash10-00di-0901200000-1aa5fa88ec79bdaee881
Source of Spectrum F5-12-4614-4af
Synonyms (E)-benzyl 2-(1-(1-(4-chlorophenyl)-5-oxo-3-(prop-2-yn-1-yl)-2-thioxoimidazolidin-4-yl)propylidene)hydrazinecarboxylate
Wiley ID 1747552