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Ethyl 3-((E)-1-(2-((E)-2-(5-acetyl-3-(4-nitrophenyl)-1,3,4-thiadiazol-2(3H)-ylidene)-2-cyanoacetyl)hydrazono)ethyl)-1,5-diphenyl-1H-pyrazole-4-carboxylate
SpectraBase Compound ID 64FUdaXIJlL
InChI InChI=1S/C33H26N8O6S/c1-4-47-33(44)27-28(37-39(23-13-9-6-10-14-23)29(27)22-11-7-5-8-12-22)20(2)35-36-30(43)26(19-34)32-40(38-31(48-32)21(3)42)24-15-17-25(18-16-24)41(45)46/h5-18H,4H2,1-3H3,(H,36,43)/b32-26+,35-20+
InChIKey IOAPUXUZVGJLRK-XVZUCVEISA-N
Mol Weight 662.7 g/mol
Molecular Formula C33H26N8O6S
Exact Mass 662.169602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lf0rAsDWhu6
Name Ethyl 3-((E)-1-(2-((E)-2-(5-acetyl-3-(4-nitrophenyl)-1,3,4-thiadiazol-2(3H)-ylidene)-2-cyanoacetyl)hydrazono)ethyl)-1,5-diphenyl-1H-pyrazole-4-carboxylate
Alternate Name(s) Ethyl 3-((E)-1-(2-((E)-2-(5-acetyl-3-(4-nitrophenyl)-1,3,4-thiadiazol-2(3H)-ylidene)-2-cyanoacetyl)hydrazineylidene)ethyl)-1,5-diphenyl-1H-pyrazole-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H26N8O6S
InChI InChI=1S/C33H26N8O6S/c1-4-47-33(44)27-28(37-39(23-13-9-6-10-14-23)29(27)22-11-7-5-8-12-22)20(2)35-36-30(43)26(19-34)32-40(38-31(48-32)21(3)42)24-15-17-25(18-16-24)41(45)46/h5-18H,4H2,1-3H3,(H,36,43)/b32-26+,35-20+
InChIKey IOAPUXUZVGJLRK-XVZUCVEISA-N
Literature Reference DOI 10.3987/COM-15-13370
Molecular Weight 662.681 g/mol
SMILES N(\N=C\(c1n[n](c(c1C(=O)OCC)-c1ccccc1)-c1ccccc1)C)C(=O)\C(C#N)=C\1SC(=NN1c1ccc(cc1)[N+](=O)[O-])C(=O)C
SPLASH splash10-07vi-7509001000-07ae03704451cef75a6d
Source of Spectrum H1-92-660-15e
Wiley ID 1804107