8DB
Summary
| Name: | 6-(thiophen-2-ylmethoxy)phthalazine-1,4-dione |
| Formula: | C13 H8 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 272.279 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-(thiophen-2-ylmethoxy)phthalazine-1,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H8N2O3S/c16-12-10-4-3-8(6-11(10)13(17)15-14-12)18-7-9-2-1-5-19-9/h1-6H,7H2 |
| InChIKey | InChI | 1.06 | YWHUYRIBEINGLH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1N=NC(=O)c2cc(OCc3sccc3)ccc12 |
| SMILES | CACTVS | 3.385 | O=C1N=NC(=O)c2cc(OCc3sccc3)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)COc2ccc3c(c2)C(=O)N=NC3=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)COc2ccc3c(c2)C(=O)N=NC3=O |
