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Ethyl 2-(4-(2,3-dimethyl-1-phenyl-5-oxo-pyrazol-4-yl)thiazol-2-ylimino)-3-(4-nitrophenyl)-1,3,4-thiadiazole-5-carboxylate
SpectraBase Compound ID L8ZgxKzRtvo
InChI InChI=1S/C25H21N7O5S2/c1-4-37-23(34)21-28-30(16-10-12-18(13-11-16)32(35)36)25(39-21)27-24-26-19(14-38-24)20-15(2)29(3)31(22(20)33)17-8-6-5-7-9-17/h5-14H,4H2,1-3H3/b27-25-
InChIKey NTFRBFBNFXTMGI-RFBIWTDZSA-N
Mol Weight 563.61 g/mol
Molecular Formula C25H21N7O5S2
Exact Mass 563.104559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID NT1viNjS30
Name Ethyl 2-(4-(2,3-dimethyl-1-phenyl-5-oxo-pyrazol-4-yl)thiazol-2-ylimino)-3-(4-nitrophenyl)-1,3,4-thiadiazole-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H21N7O5S2
InChI InChI=1S/C25H21N7O5S2/c1-4-37-23(34)21-28-30(16-10-12-18(13-11-16)32(35)36)25(39-21)27-24-26-19(14-38-24)20-15(2)29(3)31(22(20)33)17-8-6-5-7-9-17/h5-14H,4H2,1-3H3/b27-25-
InChIKey NTFRBFBNFXTMGI-RFBIWTDZSA-N
Molecular Weight 563.607 g/mol
SMILES C=1(C(N(c2ccccc2)N(C1C)C)=O)c1nc(\N=C/2SC(C(=O)OCC)=NN2c2ccc(N(=O)=O)cc2)sc1
SPLASH splash10-03xr-9200010000-194c32ff939984fd34ae
Source of Spectrum EMC-70-746-17e
Synonyms (Z)-ethyl 5-((4-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiazol-2-yl)imino)-4-(4-nitrophenyl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate (5Z)-5-[[4-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-thiazolyl]imino]-4-(4-nitrophenyl)-1,3,4-thiadiazole-2-carboxylic acid ethyl ester Ethyl (5Z)-5-[[4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]imino]-4-(4-nitrophenyl)-1,3,4-thiadiazole-2-carboxylate Ethyl (5Z)-5-[4-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiazol-2-yl]imino-4-(4-nitrophenyl)-1,3,4-thiadiazole-2-carboxylate Ethyl (5Z)-5-[[4-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1,3-thiazol-2-yl]imino]-4-(4-nitrophenyl)-1,3,4-thiadiazole-2-carboxylate
Wiley ID 1740134