A5E
Summary
| Name: | 3-thiophen-2-yl-4,5-dihydro-1~{H}-pyridazin-6-one |
| Formula: | C8 H8 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 180.227 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-thiophen-2-yl-4,5-dihydro-1~{H}-pyridazin-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H8N2OS/c11-8-4-3-6(9-10-8)7-2-1-5-12-7/h1-2,5H,3-4H2,(H,10,11) |
| InChIKey | InChI | 1.03 | SLIODHPLYGIMCY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1CCC(=NN1)c2sccc2 |
| SMILES | CACTVS | 3.385 | O=C1CCC(=NN1)c2sccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(sc1)C2=NNC(=O)CC2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(sc1)C2=NNC(=O)CC2 |
