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(5Z)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-(4-methoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
SpectraBase Compound ID 8E8RC57ATgi
InChI InChI=1S/C22H19N3O3S2/c1-14-19(21(27)25(23(14)2)16-7-5-4-6-8-16)24-20(26)18(30-22(24)29)13-15-9-11-17(28-3)12-10-15/h4-13H,1-3H3/b18-13-
InChIKey ULZBXSCBLUMBTQ-AQTBWJFISA-N
Mol Weight 437.53 g/mol
Molecular Formula C22H19N3O3S2
Exact Mass 437.086784 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ykh5VquPlT
Name (5Z)-3-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-(4-methoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 437.086783829 u
Formula C22H19N3O3S2
InChI InChI=1S/C22H19N3O3S2/c1-14-19(21(27)25(23(14)2)16-7-5-4-6-8-16)24-20(26)18(30-22(24)29)13-15-9-11-17(28-3)12-10-15/h4-13H,1-3H3/b18-13-
InChIKey ULZBXSCBLUMBTQ-AQTBWJFISA-N
Molecular Weight 437.532 g/mol
SMILES C1=CC=C(N2C(C(N3C(S\C(C3=O)=C\C=3C=CC(=CC3)OC)=S)=C(N2C)C)=O)C=C1