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4-thiazolidinone, 3-butyl-5-[[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]methylene]-2-thioxo-, (5Z)-
SpectraBase Compound ID 6pFumSSpQkE
InChI InChI=1S/C21H19N3OS3/c1-2-3-11-23-20(25)18(28-21(23)26)13-15-14-24(16-8-5-4-6-9-16)22-19(15)17-10-7-12-27-17/h4-10,12-14H,2-3,11H2,1H3/b18-13-
InChIKey XOJNEIPBZJSYHA-AQTBWJFISA-N
Mol Weight 425.58 g/mol
Molecular Formula C21H19N3OS3
Exact Mass 425.069026 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EIsDLk2US0f
Name 4-Thiazolidinone, 3-butyl-5-[[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]methylene]-2-thioxo-, (5Z)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 425.069025765 u
Formula C21H19N3OS3
InChI InChI=1S/C21H19N3OS3/c1-2-3-11-23-20(25)18(28-21(23)26)13-15-14-24(16-8-5-4-6-9-16)22-19(15)17-10-7-12-27-17/h4-10,12-14H,2-3,11H2,1H3/b18-13-
InChIKey XOJNEIPBZJSYHA-AQTBWJFISA-N
Molecular Weight 425.583 g/mol
SMILES C1=CC=C(N2C=C(\C=C\3C(N(C(S3)=S)CCCC)=O)C(=N2)C=2SC=CC2)C=C1