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(Z)-2-{{3-[(p-chlorophenyl)sulfonyl]-1-{[(o-chlorophenyl)thio]methyl}propenyl}thio}benzimidazole
SpectraBase Compound ID 1B00iM3ZGA1
InChI InChI=1S/C23H18Cl2N2O2S3/c24-16-9-11-18(12-10-16)32(28,29)14-13-17(15-30-22-8-4-1-5-19(22)25)31-23-26-20-6-2-3-7-21(20)27-23/h1-13H,14-15H2,(H,26,27)/b17-13-
InChIKey HGLQHLRIODXMFN-LGMDPLHJSA-N
Mol Weight 521.5 g/mol
Molecular Formula C23H18Cl2N2O2S3
Exact Mass 519.990747 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BbRlBCK8XEv
Name (Z)-2-{{3-[(p-Chlorophenyl)sulfonyl]-1-{[(o-chlorophenyl)thio]methyl}propenyl}thio}benzimidazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 519.990746748 u
Formula C23H18Cl2N2O2S3
InChI InChI=1S/C23H18Cl2N2O2S3/c24-16-9-11-18(12-10-16)32(28,29)14-13-17(15-30-22-8-4-1-5-19(22)25)31-23-26-20-6-2-3-7-21(20)27-23/h1-13H,14-15H2,(H,26,27)/b17-13-
InChIKey HGLQHLRIODXMFN-LGMDPLHJSA-N
Molecular Weight 521.495 g/mol
SMILES N1C(=NC=2C=CC=CC12)S\C(=C/CS(C1=CC=C(C=C1)Cl)(=O)=O)CSC=1C=CC=CC1Cl