N,N-Dibenzyl-4-[1-(4-chlorophenyl)-2-ethylthioimidazol-5-yl]benzene sulfonamide

SpectraBase Compound ID	23p37r34Wdj
InChI	InChI=1S/C31H28ClN3O2S2/c1-2-38-31-33-21-30(35(31)28-17-15-27(32)16-18-28)26-13-19-29(20-14-26)39(36,37)34(22-24-9-5-3-6-10-24)23-25-11-7-4-8-12-25/h3-21H,2,22-23H2,1H3
InChIKey	IQYPNQUWOKWMIP-UHFFFAOYSA-N Google Search
Mol Weight	574.16 g/mol
Molecular Formula	C31H28ClN3O2S2
Exact Mass	573.131147 g/mol

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SpectraBase Spectrum ID	cNtToBiMP6
Name	N,N-Dibenzyl-4-[1-(4-chlorophenyl)-2-ethylthioimidazol-5-yl]benzene sulfonamide
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	573.131147200 u
Formula	C31H28ClN3O2S2
InChI	InChI=1S/C31H28ClN3O2S2/c1-2-38-31-33-21-30(35(31)28-17-15-27(32)16-18-28)26-13-19-29(20-14-26)39(36,37)34(22-24-9-5-3-6-10-24)23-25-11-7-4-8-12-25/h3-21H,2,22-23H2,1H3
InChIKey	IQYPNQUWOKWMIP-UHFFFAOYSA-N
Molecular Weight	574.157 g/mol
SMILES	C(N(S(C1=CC=C(C=2N(C(SCC)=NC2)C2=CC=C(C=C2)Cl)C=C1)(=O)=O)CC1=CC=CC=C1)C1=CC=CC=C1