| SpectraBase Spectrum ID |
KcPkWRGHop8 |
| Name |
2-{3-oxo-3-[2-(2-Propynylsulfanyl)-1H-benzimidazol-1-yl]propyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
439.099062590 u |
| Formula |
C25H17N3O3S |
| InChI |
InChI=1S/C25H17N3O3S/c1-2-15-32-25-26-19-11-3-4-12-20(19)28(25)21(29)13-14-27-23(30)17-9-5-7-16-8-6-10-18(22(16)17)24(27)31/h1,3-12H,13-15H2 |
| InChIKey |
GGNZCQKYXVFNAG-UHFFFAOYSA-N |
| Molecular Weight |
439.489 g/mol |
| SMILES |
C=1C=CC=2N(C(=NC2C1)SCC#C)C(CCN1C(C2=CC=CC=3C2=C(C1=O)C=CC3)=O)=O |
![2-{3-oxo-3-[2-(2-propynylsulfanyl)-1H-benzimidazol-1-yl]propyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione](/api/spectrum/KcPkWRGHop8/structure.png?h=300&w=458 "2-{3-oxo-3-[2-(2-propynylsulfanyl)-1H-benzimidazol-1-yl]propyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione")
