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N-(5-(Cyano-4-((1,3-diphenyl-1H-pyrazol-4-yl)methylene-5-oxo-3-phenylthiazolidin-2-ylidene)methyl)-1,3,4-oxadiazol-2-yl)benzamide

View entire compound with spectra: 1 MS (GC)

N-(5-(Cyano-4-((1,3-diphenyl-1H-pyrazol-4-yl)methylene-5-oxo-3-phenylthiazolidin-2-ylidene)methyl)-1,3,4-oxadiazol-2-yl)benzamide
SpectraBase Compound ID 5ZtoeO0LUsu
InChI InChI=1S/C36H23N7O3S/c37-22-29(33-39-40-36(46-33)38-32(44)25-15-7-2-8-16-25)34-43(28-19-11-4-12-20-28)30(35(45)47-34)21-26-23-42(27-17-9-3-10-18-27)41-31(26)24-13-5-1-6-14-24/h1-21,23H,(H,38,40,44)/b30-21+,34-29+
InChIKey VDKHACAWLVQHKM-ZZVJGYDJSA-N
Mol Weight 633.7 g/mol
Molecular Formula C36H23N7O3S
Exact Mass 633.158309 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzYD9N8sppg
Name N-(5-(Cyano-4-((1,3-diphenyl-1H-pyrazol-4-yl)methylene-5-oxo-3-phenylthiazolidin-2-ylidene)methyl)-1,3,4-oxadiazol-2-yl)benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H23N7O3S
InChI InChI=1S/C36H23N7O3S/c37-22-29(33-39-40-36(46-33)38-32(44)25-15-7-2-8-16-25)34-43(28-19-11-4-12-20-28)30(35(45)47-34)21-26-23-42(27-17-9-3-10-18-27)41-31(26)24-13-5-1-6-14-24/h1-21,23H,(H,38,40,44)/b30-21+,34-29+
InChIKey VDKHACAWLVQHKM-ZZVJGYDJSA-N
Molecular Weight 633.686 g/mol
SMILES N(c1oc(\C(=C/2N(\C(=C\c3c(n[n](c3)-c3ccccc3)-c3ccccc3)C(S2)=O)c2ccccc2)C#N)nn1)C(=O)c1ccccc1
SPLASH splash10-006t-4390000000-b11e17013a77e7515724
Source of Spectrum F2-48-196-5a
Wiley ID 1704260