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 |