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Benzyl 2-{1-[5-oxo-1-phenyl-3-(2-propynyl)-2-thioxo-4-imidazolidinyl]ethylidene}-1-hydrazinecarboxylate
SpectraBase Compound ID 3H5T4wpARNI
InChI InChI=1S/C22H20N4O3S/c1-3-14-25-19(20(27)26(22(25)30)18-12-8-5-9-13-18)16(2)23-24-21(28)29-15-17-10-6-4-7-11-17/h1,4-13,19H,14-15H2,2H3,(H,24,28)/b23-16+
InChIKey APOCIJVQVXJLTJ-XQNSMLJCSA-N
Mol Weight 420.49 g/mol
Molecular Formula C22H20N4O3S
Exact Mass 420.125612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BOqCxbMK3fi
Name Benzyl 2-{1-[5-oxo-1-phenyl-3-(2-propynyl)-2-thioxo-4-imidazolidinyl]ethylidene}-1-hydrazinecarboxylate
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Formula C22H20N4O3S
InChI InChI=1S/C22H20N4O3S/c1-3-14-25-19(20(27)26(22(25)30)18-12-8-5-9-13-18)16(2)23-24-21(28)29-15-17-10-6-4-7-11-17/h1,4-13,19H,14-15H2,2H3,(H,24,28)/b23-16+
InChIKey APOCIJVQVXJLTJ-XQNSMLJCSA-N
Literature Reference DOI 10.1039/c4ob00676c
Molecular Weight 420.487 g/mol
SMILES N(C(OCc1ccccc1)=O)\N=C\(C1N(CC#C)C(N(c2ccccc2)C1=O)=S)C
SPLASH splash10-059i-0920400000-9423e8bdd16959a089a8
Source of Spectrum F5-12-4614-4ab
Synonyms (E)-benzyl 2-(1-(5-oxo-1-phenyl-3-(prop-2-yn-1-yl)-2-thioxoimidazolidin-4-yl)ethylidene)hydrazinecarboxylate
Wiley ID 1747548