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Ethyl 2-cyano-3-[4-hydroxy-3-(3-phenylallylidene)amino-2-thioxo-2,3-dihydro-1H-imidazol-1-yl]-3-(4-methoxyphenyl)acrylate
SpectraBase Compound ID G2sxAib8Lgm
InChI InChI=1S/C25H22N4O4S/c1-3-33-24(31)21(16-26)23(19-11-13-20(32-2)14-12-19)28-17-22(30)29(25(28)34)27-15-7-10-18-8-5-4-6-9-18/h4-15,17,30H,3H2,1-2H3
InChIKey UHOHZXATXZMKQN-UHFFFAOYSA-N
Mol Weight 474.54 g/mol
Molecular Formula C25H22N4O4S
Exact Mass 474.136176 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 57px9gFRQ0
Name Ethyl 2-cyano-3-[4-hydroxy-3-(3-phenylallylidene)amino-2-thioxo-2,3-dihydro-1H-imidazol-1-yl]-3-(4-methoxyphenyl)acrylate
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22N4O4S
InChI InChI=1S/C25H22N4O4S/c1-3-33-24(31)21(16-26)23(19-11-13-20(32-2)14-12-19)28-17-22(30)29(25(28)34)27-15-7-10-18-8-5-4-6-9-18/h4-15,17,30H,3H2,1-2H3
InChIKey UHOHZXATXZMKQN-UHFFFAOYSA-N
Instrument Name Agilent-5975
Ionization Type EI
Literature Reference DOI 10.1002/ardp.202000121
Molecular Weight 474.535 g/mol
SMILES OC1=CN(C(=C(C#N)C(OCC)=O)c2ccc(OC)cc2)C(N1N=CC=Cc1ccccc1)=S
SPLASH splash10-0a4l-9542000000-45a2bf7fb44d32ed4ae1
Source of Spectrum APC-353-SM11-5
Wiley ID 1855798