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4-((4-(((1H-benzo[d]imidazol-2-yl)thio)methyl)-1H-1,2,3-triazol-1-yl)methyl)-7,8-dimethyl-2H-chromen-2-one
SpectraBase Compound ID Ho4Lj1p8yJs
InChI InChI=1S/C22H19N5O2S/c1-13-7-8-17-15(9-20(28)29-21(17)14(13)2)10-27-11-16(25-26-27)12-30-22-23-18-5-3-4-6-19(18)24-22/h3-9,11H,10,12H2,1-2H3,(H,23,24)
InChIKey FKFKLDXWYLXYBE-UHFFFAOYSA-N
Mol Weight 417.49 g/mol
Molecular Formula C22H19N5O2S
Exact Mass 417.125946 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GmkZZadveR1
Name 4-((4-(((1H-benzo[d]imidazol-2-yl)thio)methyl)-1H-1,2,3-triazol-1-yl)methyl)-7,8-dimethyl-2H-chromen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19N5O2S
InChI InChI=1S/C22H19N5O2S/c1-13-7-8-17-15(9-20(28)29-21(17)14(13)2)10-27-11-16(25-26-27)12-30-22-23-18-5-3-4-6-19(18)24-22/h3-9,11H,10,12H2,1-2H3,(H,23,24)
InChIKey FKFKLDXWYLXYBE-UHFFFAOYSA-N
Molecular Weight 417.487 g/mol
SMILES [nH]1c(nc2c1cccc2)SCc1nn[n](CC2=CC(Oc3c(c(ccc23)C)C)=O)c1
SPLASH splash10-0udl-4910000000-fc63e7f3e848a6768a58
Source of Spectrum Ashish Anand, et al. Bioorganic & Medicinal Chemistry Letters, V.26, 2016, P.4709-4713
Wiley ID 1816576