| SpectraBase Spectrum ID |
IIZ6seNCYLv |
| Name |
4-((4-(((1H-benzo[D]imidazol-2-yl)thio)methyl)-1H-1,2,3-triazol-1-yl)methyl)-6-methyl-2H-chromen-2-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
403.110295979 u |
| Formula |
C21H17N5O2S |
| InChI |
InChI=1S/C21H17N5O2S/c1-13-6-7-19-16(8-13)14(9-20(27)28-19)10-26-11-15(24-25-26)12-29-21-22-17-4-2-3-5-18(17)23-21/h2-9,11H,10,12H2,1H3,(H,22,23) |
| InChIKey |
MDYQVTLVBJWOIX-UHFFFAOYSA-N |
| Molecular Weight |
403.460 g/mol |
| SMILES |
C1(=CC=C2C(=C1)C(=CC(O2)=O)CN1N=NC(=C1)CSC1=NC2=C(N1)C=CC=C2)C |
![4-((4-(((1H-benzo[d]imidazol-2-yl)thio)methyl)-1H-1,2,3-triazol-1-yl)methyl)-6-methyl-2H-chromen-2-one](/api/spectrum/IIZ6seNCYLv/structure.png?h=300&w=458 "4-((4-(((1H-benzo[d]imidazol-2-yl)thio)methyl)-1H-1,2,3-triazol-1-yl)methyl)-6-methyl-2H-chromen-2-one")
