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Ethyl 2-cyano-3-(4-hydroxyphenyl)-3-(2-styryl-5-thioxoimidazo[5,1-b][1,3,4]oxadiazol-6(5H)-yl)acrylate
SpectraBase Compound ID 9KLtpPtdIz4
InChI InChI=1S/C24H18N4O4S/c1-2-31-23(30)19(14-25)22(17-9-11-18(29)12-10-17)27-15-21-28(24(27)33)26-20(32-21)13-8-16-6-4-3-5-7-16/h3-13,15,29H,2H2,1H3
InChIKey MKWSHGOPSKNDDP-UHFFFAOYSA-N
Mol Weight 458.49 g/mol
Molecular Formula C24H18N4O4S
Exact Mass 458.104876 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6CsZZMnLKcS
Name Ethyl 2-cyano-3-(4-hydroxyphenyl)-3-(2-styryl-5-thioxoimidazo[5,1-b][1,3,4]oxadiazol-6(5H)-yl)acrylate
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H18N4O4S
InChI InChI=1S/C24H18N4O4S/c1-2-31-23(30)19(14-25)22(17-9-11-18(29)12-10-17)27-15-21-28(24(27)33)26-20(32-21)13-8-16-6-4-3-5-7-16/h3-13,15,29H,2H2,1H3
InChIKey MKWSHGOPSKNDDP-UHFFFAOYSA-N
Instrument Name Agilent-5975
Ionization Type EI
Literature Reference DOI 10.1002/ardp.202000121
Molecular Weight 458.492 g/mol
SMILES Oc1ccc(C(=C(C#N)C(OCC)=O)N2C=C3N(C2=S)N=C(O3)C=Cc2ccccc2)cc1
SPLASH splash10-0a4l-9873100000-f3a22b6a93ac5e967f67
Source of Spectrum APC-353-SM20-8
Wiley ID 1855800