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(4-Chlorophenyl)[(1,3-diphenyl-1H-1,2,4-triazol-5-yl)imino](methyl)-.lambda.6-sulfanone
SpectraBase Compound ID 8EXLnK7rBnA
InChI InChI=1S/C21H17ClN4OS/c1-28(27,19-14-12-17(22)13-15-19)25-21-23-20(16-8-4-2-5-9-16)24-26(21)18-10-6-3-7-11-18/h2-15H,1H3
InChIKey ZNKLZWMYNDUDHV-UHFFFAOYSA-N
Mol Weight 408.91 g/mol
Molecular Formula C21H17ClN4OS
Exact Mass 408.08116 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9CS8WyNJlv3
Name (4-Chlorophenyl)[(1,3-diphenyl-1H-1,2,4-triazol-5-yl)imino](methyl)-.lambda.6-sulfanone
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17ClN4OS
InChI InChI=1S/C21H17ClN4OS/c1-28(27,19-14-12-17(22)13-15-19)25-21-23-20(16-8-4-2-5-9-16)24-26(21)18-10-6-3-7-11-18/h2-15H,1H3
InChIKey ZNKLZWMYNDUDHV-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202000335
Molecular Weight 408.907 g/mol
Reported Formula C21H17ON4ClS
SMILES CS(c1ccc(cc1)Cl)(=Nc1[n](-c2ccccc2)nc(-c2ccccc2)n1)=O
SPLASH splash10-052f-3307900000-c03fddf8c3b93d9c4004
Source of Spectrum U1-2020-SM4-7g
Wiley ID 1860525