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2-chloro-N-{(5Z)-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide
SpectraBase Compound ID GlWaYMpCIcf
InChI InChI=1S/C16H12ClN3O2S2/c1-19-8-4-5-10(19)9-13-15(22)20(16(23)24-13)18-14(21)11-6-2-3-7-12(11)17/h2-9H,1H3,(H,18,21)/b13-9-
InChIKey ZYHGDHUDDMHYAE-LCYFTJDESA-N
Mol Weight 377.86 g/mol
Molecular Formula C16H12ClN3O2S2
Exact Mass 377.005947 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CQ7JTH0Mk6l
Name 2-Chloro-N-{(5Z)-5-[(1-methyl-1H-pyrrol-2-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 377.005946684 u
Formula C16H12ClN3O2S2
InChI InChI=1S/C16H12ClN3O2S2/c1-19-8-4-5-10(19)9-13-15(22)20(16(23)24-13)18-14(21)11-6-2-3-7-12(11)17/h2-9H,1H3,(H,18,21)/b13-9-
InChIKey ZYHGDHUDDMHYAE-LCYFTJDESA-N
Molecular Weight 377.864 g/mol
SMILES N(N1C(\C(=C\C=2N(C=CC2)C)SC1=S)=O)C(C=1C(Cl)=CC=CC1)=O