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2-chloro-N-[(5Z)-5-(1H-indol-3-ylmethylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzamide
SpectraBase Compound ID GM5q4k6RcAh
InChI InChI=1S/C19H12ClN3O2S2/c20-14-7-3-1-6-13(14)17(24)22-23-18(25)16(27-19(23)26)9-11-10-21-15-8-4-2-5-12(11)15/h1-10,21H,(H,22,24)/b16-9-
InChIKey LEHGOFUELVNOEG-SXGWCWSVSA-N
Mol Weight 413.9 g/mol
Molecular Formula C19H12ClN3O2S2
Exact Mass 413.005947 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JWErZIMAEsy
Name 2-Chloro-N-[(5Z)-5-(1H-indol-3-ylmethylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 413.005946684 u
Formula C19H12ClN3O2S2
InChI InChI=1S/C19H12ClN3O2S2/c20-14-7-3-1-6-13(14)17(24)22-23-18(25)16(27-19(23)26)9-11-10-21-15-8-4-2-5-12(11)15/h1-10,21H,(H,22,24)/b16-9-
InChIKey LEHGOFUELVNOEG-SXGWCWSVSA-N
Molecular Weight 413.897 g/mol
SMILES N(N1C(\C(=C\C2=CNC3=C2C=CC=C3)SC1=S)=O)C(C=1C(Cl)=CC=CC1)=O