For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Ethyl 3-((E)-1-(2-((E)-2-(5-acetyl-3-phenyl-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-phenyl-1,3,4-thiadiazol-2(3H)-ylidene)-2-cyanoacetyl)hydrazono)ethyl)-1,5-diphenyl-1H-pyrazole-4-carboxylate
SpectraBase Compound ID IqQH5WowNuV
InChI InChI=1S/C33H27N7O4S/c1-4-44-33(43)27-28(37-39(24-16-10-6-11-17-24)29(27)23-14-8-5-9-15-23)21(2)35-36-30(42)26(20-34)32-40(25-18-12-7-13-19-25)38-31(45-32)22(3)41/h5-19H,4H2,1-3H3,(H,36,42)/b32-26+,35-21+
InChIKey ZOJPDFPGNCBMAX-ZERYBOODSA-N
Mol Weight 617.7 g/mol
Molecular Formula C33H27N7O4S
Exact Mass 617.184524 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID B4b789yw6ls
Name Ethyl 3-((E)-1-(2-((E)-2-(5-acetyl-3-phenyl-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-phenyl-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 C33H27N7O4S
InChI InChI=1S/C33H27N7O4S/c1-4-44-33(43)27-28(37-39(24-16-10-6-11-17-24)29(27)23-14-8-5-9-15-23)21(2)35-36-30(42)26(20-34)32-40(25-18-12-7-13-19-25)38-31(45-32)22(3)41/h5-19H,4H2,1-3H3,(H,36,42)/b32-26+,35-21+
InChIKey ZOJPDFPGNCBMAX-ZERYBOODSA-N
Literature Reference DOI 10.3987/COM-15-13370
Molecular Weight 617.684 g/mol
SMILES N(C(\C(C#N)=C\1SC(=NN1c1ccccc1)C(=O)C)=O)\N=C/(C)c1n[n](c(c1C(=O)OCC)-c1ccccc1)-c1ccccc1
SPLASH splash10-001i-9110000000-591d5288fa6bd863cdfc
Source of Spectrum H1-92-659-15a
Wiley ID 1804103