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N-{(5Z)-5-[(1-methyl-1H-indol-3-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}isonicotinamide
SpectraBase Compound ID FFJLpy5BQkf
InChI InChI=1S/C19H14N4O2S2/c1-22-11-13(14-4-2-3-5-15(14)22)10-16-18(25)23(19(26)27-16)21-17(24)12-6-8-20-9-7-12/h2-11H,1H3,(H,21,24)/b16-10-
InChIKey KQYHNGUFOROKOJ-YBEGLDIGSA-N
Mol Weight 394.47 g/mol
Molecular Formula C19H14N4O2S2
Exact Mass 394.055818 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BQSqvfSQNU2
Name N-{(5Z)-5-[(1-Methyl-1H-indol-3-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}isonicotinamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.055818053 u
Formula C19H14N4O2S2
InChI InChI=1S/C19H14N4O2S2/c1-22-11-13(14-4-2-3-5-15(14)22)10-16-18(25)23(19(26)27-16)21-17(24)12-6-8-20-9-7-12/h2-11H,1H3,(H,21,24)/b16-10-
InChIKey KQYHNGUFOROKOJ-YBEGLDIGSA-N
Molecular Weight 394.467 g/mol
SMILES N(N1C(\C(=C\C2=CN(C)C3=C2C=CC=C3)SC1=S)=O)C(=O)C=1C=CN=CC1