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4-((4-(((1H-benzo[d]imidazol-2-yl)thio)methyl)-1H-1,2,3-triazol-1-yl)methyl)-7-chloro-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-chloro-2H-chromen-2-one
SpectraBase Compound ID 4gAim5PpFHJ
InChI InChI=1S/C20H14ClN5O2S/c21-13-5-6-15-12(7-19(27)28-18(15)8-13)9-26-10-14(24-25-26)11-29-20-22-16-3-1-2-4-17(16)23-20/h1-8,10H,9,11H2,(H,22,23)
InChIKey AONLJRCRXKJTHS-UHFFFAOYSA-N
Mol Weight 423.88 g/mol
Molecular Formula C20H14ClN5O2S
Exact Mass 423.055674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IIe79NQGkci
Name 4-((4-(((1H-benzo[d]imidazol-2-yl)thio)methyl)-1H-1,2,3-triazol-1-yl)methyl)-7-chloro-2H-chromen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H14ClN5O2S
InChI InChI=1S/C20H14ClN5O2S/c21-13-5-6-15-12(7-19(27)28-18(15)8-13)9-26-10-14(24-25-26)11-29-20-22-16-3-1-2-4-17(16)23-20/h1-8,10H,9,11H2,(H,22,23)
InChIKey AONLJRCRXKJTHS-UHFFFAOYSA-N
Molecular Weight 423.878 g/mol
SMILES [nH]1c(nc2c1cccc2)SCc1nn[n](CC2=CC(Oc3cc(ccc23)Cl)=O)c1
SPLASH splash10-0w2a-9500000000-d3bd016c0c6d4de8d66d
Source of Spectrum Ashish Anand, et al. Bioorganic & Medicinal Chemistry Letters, V.26, 2016, P.4709-4713
Wiley ID 1816579