SpectraBase Spectrum ID |
IoXkCZBQJTP |
Name |
4-((4-(((1H-benzo[d]imidazol-2-yl)thio)methyl)-1H-1,2,3-triazol-1-yl)methyl)-8-methylquinolin-2(1H)-one |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C21H18N6OS |
InChI |
InChI=1S/C21H18N6OS/c1-13-5-4-6-16-14(9-19(28)24-20(13)16)10-27-11-15(25-26-27)12-29-21-22-17-7-2-3-8-18(17)23-21/h2-9,11H,10,12H2,1H3,(H,22,23)(H,24,28) |
InChIKey |
MAKDBXORRXYYHL-UHFFFAOYSA-N |
Molecular Weight |
402.476 g/mol |
SMILES |
N1C(C=C(C[n]2nnc(CSc3nc4c(cccc4)[nH]3)c2)c2c1c(ccc2)C)=O |
SPLASH |
splash10-0f6x-9700000000-ece5f7574852104dc0c9 |
Source of Spectrum |
Ashish Anand, et al. Bioorganic & Medicinal Chemistry Letters, V.26, 2016, P.4709-4713 |
Wiley ID |
1816585 |