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Ethyl 3-((E)-1-(2-((E)-2-cyano-2-(4-methyl-3-phenylthiazol-2(3H)-ylidene)acetyl)hydrazono)-ethyl)-1,5-diphenyl-1H-pyrazole-4-carboxylate

View entire compound with spectra: 1 MS (GC)

Ethyl 3-((E)-1-(2-((E)-2-cyano-2-(4-methyl-3-phenylthiazol-2(3H)-ylidene)acetyl)hydrazono)-ethyl)-1,5-diphenyl-1H-pyrazole-4-carboxylate
SpectraBase Compound ID 1DhQ3QocvI4
InChI InChI=1S/C33H28N6O3S/c1-4-42-33(41)28-29(37-39(26-18-12-7-13-19-26)30(28)24-14-8-5-9-15-24)23(3)35-36-31(40)27(20-34)32-38(22(2)21-43-32)25-16-10-6-11-17-25/h5-19,21H,4H2,1-3H3,(H,36,40)/b32-27+,35-23+
InChIKey RTUIQSXKFRNVRX-QMEKWAOWSA-N
Mol Weight 588.7 g/mol
Molecular Formula C33H28N6O3S
Exact Mass 588.19436 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 366xaQgFc0
Name Ethyl 3-((E)-1-(2-((E)-2-cyano-2-(4-methyl-3-phenylthiazol-2(3H)-ylidene)acetyl)hydrazono)-ethyl)-1,5-diphenyl-1H-pyrazole-4-carboxylate
Alternate Name(s) Ethyl 3-((E)-1-(2-((E)-2-cyano-2-(4-methyl-3-phenylthiazol-2(3H)-ylidene)acetyl)hydrazineylidene)ethyl)-1,5-diphenyl-1H-pyrazole-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H28N6O3S
InChI InChI=1S/C33H28N6O3S/c1-4-42-33(41)28-29(37-39(26-18-12-7-13-19-26)30(28)24-14-8-5-9-15-24)23(3)35-36-31(40)27(20-34)32-38(22(2)21-43-32)25-16-10-6-11-17-25/h5-19,21H,4H2,1-3H3,(H,36,40)/b32-27+,35-23+
InChIKey RTUIQSXKFRNVRX-QMEKWAOWSA-N
Literature Reference DOI 10.3987/COM-15-13370
Molecular Weight 588.686 g/mol
SMILES N(\N=C\(c1n[n](c(c1C(=O)OCC)-c1ccccc1)-c1ccccc1)C)C(=O)\C(C#N)=C\1SC=C(N1c1ccccc1)C
SPLASH splash10-0a70-9013340000-eccd3edaa7823fe18321
Source of Spectrum H1-92-658-8
Wiley ID 1804126