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5-{[3-(Benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-((1-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethylidene)hydrazono)thiazolidin-4-one
SpectraBase Compound ID 9LDWy0gWNkB
InChI InChI=1S/C33H25N7O2S/c1-20-29(35-31(34-20)22-11-5-3-6-12-22)21(2)37-38-33-36-32(41)28(43-33)18-24-19-40(25-14-7-4-8-15-25)39-30(24)27-17-23-13-9-10-16-26(23)42-27/h3-19H,1-2H3,(H,34,35)(H,36,38,41)/b28-18-,37-21+
InChIKey VHQJGFXNSQSCTJ-BCATVOSTSA-N
Mol Weight 583.7 g/mol
Molecular Formula C33H25N7O2S
Exact Mass 583.179044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GmAekiqwI4d
Name 5-{[3-(Benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-((1-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethylidene)hydrazono)thiazolidin-4-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H25N7O2S
InChI InChI=1S/C33H25N7O2S/c1-20-29(35-31(34-20)22-11-5-3-6-12-22)21(2)37-38-33-36-32(41)28(43-33)18-24-19-40(25-14-7-4-8-15-25)39-30(24)27-17-23-13-9-10-16-26(23)42-27/h3-19H,1-2H3,(H,34,35)(H,36,38,41)/b28-18-,37-21+
InChIKey VHQJGFXNSQSCTJ-BCATVOSTSA-N
Molecular Weight 583.670 g/mol
SMILES N1\C(=N/N=C/(c2c([nH]c(n2)-c2ccccc2)C)C)S\C(=C/c2c(n[n](-c3ccccc3)c2)-c2oc3ccccc3c2)C1=O
SPLASH splash10-0a4i-9000040000-138b199a4a69532cc0a1
Source of Spectrum F2-46-1510-10c
Wiley ID 1689526