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Ethyl 2-cyano-3-[4-hydroxy-3-(phenylallylidene)amino-2-thioxo-2,3-dihydro-1H-imidazol-1-yl]-3-(4-hydroxyphenyl)acrylate
SpectraBase Compound ID 14eS3rZDFKn
InChI InChI=1S/C24H20N4O4S/c1-2-32-23(31)20(15-25)22(18-10-12-19(29)13-11-18)27-16-21(30)28(24(27)33)26-14-6-9-17-7-4-3-5-8-17/h3-14,16,29-30H,2H2,1H3
InChIKey GMRBKMWEONNDQC-UHFFFAOYSA-N
Mol Weight 460.51 g/mol
Molecular Formula C24H20N4O4S
Exact Mass 460.120526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID yqND4Tbw5H
Name Ethyl 2-cyano-3-[4-hydroxy-3-(phenylallylidene)amino-2-thioxo-2,3-dihydro-1H-imidazol-1-yl]-3-(4-hydroxyphenyl)acrylate
Appearance Green crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H20N4O4S
InChI InChI=1S/C24H20N4O4S/c1-2-32-23(31)20(15-25)22(18-10-12-19(29)13-11-18)27-16-21(30)28(24(27)33)26-14-6-9-17-7-4-3-5-8-17/h3-14,16,29-30H,2H2,1H3
InChIKey GMRBKMWEONNDQC-UHFFFAOYSA-N
Instrument Name Agilent-5975
Ionization Type EI
Literature Reference DOI 10.1002/ardp.202000121
Molecular Weight 460.508 g/mol
SMILES OC=1N(C(N(C(c2ccc(cc2)O)=C(C(=O)OCC)C#N)C1)=S)N=CC=Cc1ccccc1
SPLASH splash10-0c03-9542000000-c75f4f9bdce10522fab9
Source of Spectrum APC-353-SM5-3
Wiley ID 1855796