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(5E)-3-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-(2-hydroxy-5-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one
SpectraBase Compound ID 5CMZu806Bsg
InChI InChI=1S/C21H16N4O5S2/c1-12-18(20(28)24(22(12)2)14-6-4-3-5-7-14)23-19(27)17(32-21(23)31)11-13-10-15(25(29)30)8-9-16(13)26/h3-11,26H,1-2H3/b17-11+
InChIKey ZGIBPKIPCNDJMY-GZTJUZNOSA-N
Mol Weight 468.5 g/mol
Molecular Formula C21H16N4O5S2
Exact Mass 468.056212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AmAdqLLFf77
Name (5E)-3-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-(2-hydroxy-5-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one
CAS Registry Number 314275-32-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16N4O5S2
InChI InChI=1S/C21H16N4O5S2/c1-12-18(20(28)24(22(12)2)14-6-4-3-5-7-14)23-19(27)17(32-21(23)31)11-13-10-15(25(29)30)8-9-16(13)26/h3-11,26H,1-2H3/b17-11+
InChIKey ZGIBPKIPCNDJMY-GZTJUZNOSA-N
Molecular Weight 468.502 g/mol
SMILES Oc1c(\C=C/2C(N(C(S2)=S)C=2C(N(N(C2C)C)c2ccccc2)=O)=O)cc(cc1)N(=O)=O
SPLASH splash10-0a4i-9110000000-0789ba963384c3a6c083
Synonyms (5E)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5-[(5-nitro-2-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (5E)-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-2-sulfanylidene-4-thiazolidinone (5E)-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-5-[(2-hydroxy-5-nitro-phenyl)methylene]-2-thioxo-thiazolidin-4-one (5E)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (5E)-5-(2-hydroxy-5-nitro-benzylidene)-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-thioxo-thiazolidin-4-one 3-(antipyrin-4-yl)-5-(5-nitrosalicylidene)rhodanine
Wiley ID 1467785