SWT
Summary
| Name: | 6-(4-methylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one |
| Formula: | C12 H10 N4 O S |
| Formal charge: | 0 |
| Formula weight: | 258.299 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-(4-methylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H10N4OS/c1-8-2-4-9(5-3-8)18-11-7-6-10-13-14-12(17)16(10)15-11/h2-7H,1H3,(H,14,17) |
| InChIKey | InChI | 1.03 | SVJSYMYGSKESLF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(SC2=NN3C(=O)NN=C3C=C2)cc1 |
| SMILES | CACTVS | 3.385 | Cc1ccc(SC2=NN3C(=O)NN=C3C=C2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)SC2=NN3C(=NNC3=O)C=C2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)SC2=NN3C(=NNC3=O)C=C2 |
