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4-((4-(((1H-benzo[d]imidazol-2-yl)thio)methyl)-1H-1,2,3-triazol-1-yl)methyl)-7-hydroxy-2H-chromen-2-one

View entire compound with spectra: 1 MS (GC)

4-((4-(((1H-benzo[d]imidazol-2-yl)thio)methyl)-1H-1,2,3-triazol-1-yl)methyl)-7-hydroxy-2H-chromen-2-one
SpectraBase Compound ID 8puFBdTXGtF
InChI InChI=1S/C20H15N5O3S/c26-14-5-6-15-12(7-19(27)28-18(15)8-14)9-25-10-13(23-24-25)11-29-20-21-16-3-1-2-4-17(16)22-20/h1-8,10,26H,9,11H2,(H,21,22)
InChIKey FWUHFIXMVNNUOV-UHFFFAOYSA-N
Mol Weight 405.43 g/mol
Molecular Formula C20H15N5O3S
Exact Mass 405.089561 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IHNLdVSxXMI
Name 4-((4-(((1H-benzo[d]imidazol-2-yl)thio)methyl)-1H-1,2,3-triazol-1-yl)methyl)-7-hydroxy-2H-chromen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15N5O3S
InChI InChI=1S/C20H15N5O3S/c26-14-5-6-15-12(7-19(27)28-18(15)8-14)9-25-10-13(23-24-25)11-29-20-21-16-3-1-2-4-17(16)22-20/h1-8,10,26H,9,11H2,(H,21,22)
InChIKey FWUHFIXMVNNUOV-UHFFFAOYSA-N
Molecular Weight 405.432 g/mol
SMILES [nH]1c(SCc2nn[n](CC3=CC(Oc4c3ccc(c4)O)=O)c2)nc2c1cccc2
SPLASH splash10-0hfx-9400000000-26884c59592df2accfa5
Source of Spectrum Ashish Anand, et al. Bioorganic & Medicinal Chemistry Letters, V.26, 2016, P.4709-4713
Wiley ID 1816580