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(5Z)-5-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-3-ethyl-2-thioxo-1,3-thiazolidin-4-one
SpectraBase Compound ID J4eNO8AEnJO
InChI InChI=1S/C23H21N3OS2/c1-4-25-22(27)20(29-23(25)28)13-17-14-26(18-8-6-5-7-9-18)24-21(17)19-12-15(2)10-11-16(19)3/h5-14H,4H2,1-3H3/b20-13-
InChIKey CTPSGSQJQXIPOG-MOSHPQCFSA-N
Mol Weight 419.56 g/mol
Molecular Formula C23H21N3OS2
Exact Mass 419.112605 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FIiQbmCWWJG
Name (5Z)-5-{[3-(2,5-Dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-3-ethyl-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 419.112604655 u
Formula C23H21N3OS2
InChI InChI=1S/C23H21N3OS2/c1-4-25-22(27)20(29-23(25)28)13-17-14-26(18-8-6-5-7-9-18)24-21(17)19-12-15(2)10-11-16(19)3/h5-14H,4H2,1-3H3/b20-13-
InChIKey CTPSGSQJQXIPOG-MOSHPQCFSA-N
Molecular Weight 419.561 g/mol
SMILES C=1C=CC(N2C=C(\C=C\3C(N(C(S3)=S)CC)=O)C(=N2)C2=C(C=CC(=C2)C)C)=CC1