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

*Links on SpectraBase are not permalinks.

(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

View entire compound with spectra: 2 MS (GC)

(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)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 4xWa4xbseij
Name 3-(antiPYRIN-4-YL)-5-(5-NITROSALICYLIDENE)RHODANINE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 468.0559
SMILES Oc1ccc(N(=O)=O)cc1\C=C/1SC(=S)N(C2=C(C)N(C)N(c3ccccc3)C2=O)C1=O
SPLASH splash10-0a4i-9110000000-fedaee797349311f67bd
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany