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Ethyl 3-((E)-1-(2-((E)-2-(5-acetyl-3-(4-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene)-2-cyanoacetyl)hydrazono)ethyl)-1,5-diphenyl-1H-pyrazole-4-carboxylate

View entire compound with spectra: 1 MS (GC)

Ethyl 3-((E)-1-(2-((E)-2-(5-acetyl-3-(4-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene)-2-cyanoacetyl)hydrazono)ethyl)-1,5-diphenyl-1H-pyrazole-4-carboxylate
SpectraBase Compound ID BVp8pYMBiwx
InChI InChI=1S/C33H26BrN7O4S/c1-4-45-33(44)27-28(38-40(24-13-9-6-10-14-24)29(27)22-11-7-5-8-12-22)20(2)36-37-30(43)26(19-35)32-41(39-31(46-32)21(3)42)25-17-15-23(34)16-18-25/h5-18H,4H2,1-3H3,(H,37,43)/b32-26+,36-20+
InChIKey VMOTVYMDISRLHT-BQLMJLRPSA-N
Mol Weight 696.6 g/mol
Molecular Formula C33H26BrN7O4S
Exact Mass 695.095037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GS7CqFJek6f
Name Ethyl 3-((E)-1-(2-((E)-2-(5-acetyl-3-(4-bromophenyl)-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-bromophenyl)-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 C33H26BrN7O4S
InChI InChI=1S/C33H26BrN7O4S/c1-4-45-33(44)27-28(38-40(24-13-9-6-10-14-24)29(27)22-11-7-5-8-12-22)20(2)36-37-30(43)26(19-35)32-41(39-31(46-32)21(3)42)25-17-15-23(34)16-18-25/h5-18H,4H2,1-3H3,(H,37,43)/b32-26+,36-20+
InChIKey VMOTVYMDISRLHT-BQLMJLRPSA-N
Literature Reference DOI 10.3987/COM-15-13370
Molecular Weight 696.580 g/mol
SMILES N(\N=C\(c1n[n](c(c1C(=O)OCC)-c1ccccc1)-c1ccccc1)C)C(=O)\C(C#N)=C\1SC(=NN1c1ccc(cc1)Br)C(=O)C
SPLASH splash10-03di-9500444000-3246bdab9d05c5c610b5
Source of Spectrum H1-92-659-15d
Wiley ID 1804106