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2-chloro-N-{(5Z)-5-[(1-methyl-1H-indol-3-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide
SpectraBase Compound ID CpmNSjUbQIA
InChI InChI=1S/C20H14ClN3O2S2/c1-23-11-12(13-6-3-5-9-16(13)23)10-17-19(26)24(20(27)28-17)22-18(25)14-7-2-4-8-15(14)21/h2-11H,1H3,(H,22,25)/b17-10-
InChIKey KLRBDTKKXWMEAU-YVLHZVERSA-N
Mol Weight 427.92 g/mol
Molecular Formula C20H14ClN3O2S2
Exact Mass 427.021597 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EnIWTliXpGs
Name 2-Chloro-N-{(5Z)-5-[(1-methyl-1H-indol-3-yl)methylene]-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 427.021596749 u
Formula C20H14ClN3O2S2
InChI InChI=1S/C20H14ClN3O2S2/c1-23-11-12(13-6-3-5-9-16(13)23)10-17-19(26)24(20(27)28-17)22-18(25)14-7-2-4-8-15(14)21/h2-11H,1H3,(H,22,25)/b17-10-
InChIKey KLRBDTKKXWMEAU-YVLHZVERSA-N
Molecular Weight 427.924 g/mol
SMILES N(N1C(\C(=C\C2=CN(C)C3=C2C=CC=C3)SC1=S)=O)C(C=1C(Cl)=CC=CC1)=O