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Ethyl 3-((E)-1-(2-((E)-2-cyano-2-(4-oxo-3-phenylthiazolidin-2-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-oxo-3-phenylthiazolidin-2-ylidene)acetyl)hydrazono)-ethyl)-1,5-diphenyl-1H-pyrazole-4-carboxylate
SpectraBase Compound ID 495FRsCzOkr
InChI InChI=1S/C32H26N6O4S/c1-3-42-32(41)27-28(36-38(24-17-11-6-12-18-24)29(27)22-13-7-4-8-14-22)21(2)34-35-30(40)25(19-33)31-37(26(39)20-43-31)23-15-9-5-10-16-23/h4-18H,3,20H2,1-2H3,(H,35,40)/b31-25+,34-21+
InChIKey ZFCIFYCWDKFHMA-HWKBLANTSA-N
Mol Weight 590.7 g/mol
Molecular Formula C32H26N6O4S
Exact Mass 590.173625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Y7zyKssk3z
Name Ethyl 3-((E)-1-(2-((E)-2-cyano-2-(4-oxo-3-phenylthiazolidin-2-ylidene)acetyl)hydrazono)-ethyl)-1,5-diphenyl-1H-pyrazole-4-carboxylate
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Formula C32H26N6O4S
InChI InChI=1S/C32H26N6O4S/c1-3-42-32(41)27-28(36-38(24-17-11-6-12-18-24)29(27)22-13-7-4-8-14-22)21(2)34-35-30(40)25(19-33)31-37(26(39)20-43-31)23-15-9-5-10-16-23/h4-18H,3,20H2,1-2H3,(H,35,40)/b31-25+,34-21+
InChIKey ZFCIFYCWDKFHMA-HWKBLANTSA-N
Literature Reference DOI 10.3987/COM-15-13370
Molecular Weight 590.658 g/mol
SMILES N(\N=C\(c1n[n](c(c1C(=O)OCC)-c1ccccc1)-c1ccccc1)C)C(=O)\C(C#N)=C\1SCC(N1c1ccccc1)=O
SPLASH splash10-0006-4032390000-06004ffe5b5ce034d432
Source of Spectrum H1-92-658-10
Synonyms Ethyl 3-((E)-1-(2-((E)-2-cyano-2-(4-oxo-3-phenylthiazolidin-2-ylidene)acetyl)hydrazineylidene)ethyl)-1,5-diphenyl-1H-pyrazole-4-carboxylate
Wiley ID 1804101