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5-[(2-aminophenyl)thio]-5-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diethyl-2-thioxoimidazolidine-4-one
SpectraBase Compound ID HreRm8RHWru
InChI InChI=1S/C21H22BrN3O2S2/c1-3-24-19(27)21(25(4-2)20(24)28,29-18-8-6-5-7-16(18)23)13-17(26)14-9-11-15(22)12-10-14/h5-12H,3-4,13,23H2,1-2H3
InChIKey UFBFSOALZBUJEW-UHFFFAOYSA-N
Mol Weight 492.45 g/mol
Molecular Formula C21H22BrN3O2S2
Exact Mass 491.033682 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A237Iv3sBFW
Name 5-[(2-aminophenyl)thio]-5-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diethyl-2-thioxoimidazolidine-4-one
Appearance White powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22BrN3O2S2
InChI InChI=1S/C21H22BrN3O2S2/c1-3-24-19(27)21(25(4-2)20(24)28,29-18-8-6-5-7-16(18)23)13-17(26)14-9-11-15(22)12-10-14/h5-12H,3-4,13,23H2,1-2H3
InChIKey UFBFSOALZBUJEW-UHFFFAOYSA-N
Instrument Name Finnigan-Matt 8430
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4120
Molecular Weight 492.450 g/mol
SMILES Nc1c(SC2(C(N(C(N2CC)=S)CC)=O)CC(c2ccc(cc2)Br)=O)cccc1
SPLASH splash10-001r-5912000000-6b8c70fce5fbe0598bbb
Source of Spectrum Y-57-SM27-9i
Wiley ID 1859917