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N-[(5Z)-5-(1H-indol-3-ylmethylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]isonicotinamide
SpectraBase Compound ID F3Mf0KycEMR
InChI InChI=1S/C18H12N4O2S2/c23-16(11-5-7-19-8-6-11)21-22-17(24)15(26-18(22)25)9-12-10-20-14-4-2-1-3-13(12)14/h1-10,20H,(H,21,23)/b15-9-
InChIKey JCKUCZOOEHAAGF-DHDCSXOGSA-N
Mol Weight 380.44 g/mol
Molecular Formula C18H12N4O2S2
Exact Mass 380.040168 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KMVFdDHLMYq
Name N-[(5Z)-5-(1H-Indol-3-ylmethylene)-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 380.040167988 u
Formula C18H12N4O2S2
InChI InChI=1S/C18H12N4O2S2/c23-16(11-5-7-19-8-6-11)21-22-17(24)15(26-18(22)25)9-12-10-20-14-4-2-1-3-13(12)14/h1-10,20H,(H,21,23)/b15-9-
InChIKey JCKUCZOOEHAAGF-DHDCSXOGSA-N
Molecular Weight 380.440 g/mol
SMILES N(N1C(\C(=C\C2=CNC3=C2C=CC=C3)SC1=S)=O)C(=O)C1=CC=NC=C1