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4-((4-(((1H-benzo[d]imidazol-2-yl)thio)methyl)-1H-1,2,3-triazol-1-yl)methyl)-6-methoxy-2H-chromen-2-one
SpectraBase Compound ID 97Y3RIfzOOq
InChI InChI=1S/C21H17N5O3S/c1-28-15-6-7-19-16(9-15)13(8-20(27)29-19)10-26-11-14(24-25-26)12-30-21-22-17-4-2-3-5-18(17)23-21/h2-9,11H,10,12H2,1H3,(H,22,23)
InChIKey RWJFLWHFCWCZQT-UHFFFAOYSA-N
Mol Weight 419.46 g/mol
Molecular Formula C21H17N5O3S
Exact Mass 419.105211 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E5K5uswuels
Name 4-((4-(((1H-benzo[d]imidazol-2-yl)thio)methyl)-1H-1,2,3-triazol-1-yl)methyl)-6-methoxy-2H-chromen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17N5O3S
InChI InChI=1S/C21H17N5O3S/c1-28-15-6-7-19-16(9-15)13(8-20(27)29-19)10-26-11-14(24-25-26)12-30-21-22-17-4-2-3-5-18(17)23-21/h2-9,11H,10,12H2,1H3,(H,22,23)
InChIKey RWJFLWHFCWCZQT-UHFFFAOYSA-N
Molecular Weight 419.459 g/mol
SMILES [nH]1c(nc2c1cccc2)SCc1nn[n](CC2=CC(Oc3ccc(OC)cc23)=O)c1
SPLASH splash10-03dj-9000000000-73615323047c5095f15a
Source of Spectrum Ashish Anand, et al. Bioorganic & Medicinal Chemistry Letters, V.26, 2016, P.4709-4713
Wiley ID 1816581