SWQ
Summary
| Name: | 6-(3-methylsulfanylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one |
| Formula: | C12 H10 N4 O S2 |
| Formal charge: | 0 |
| Formula weight: | 290.364 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-(3-methylsulfanylphenyl)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/C12H10N4OS2/c1-18-8-3-2-4-9(7-8)19-11-6-5-10-13-14-12(17)16(10)15-11/h2-7H,1H3,(H,14,17) |
| InChIKey | InChI | 1.03 | VATRPVZFYDKZHK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1cccc(SC2=NN3C(=O)NN=C3C=C2)c1 |
| SMILES | CACTVS | 3.385 | CSc1cccc(SC2=NN3C(=O)NN=C3C=C2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CSc1cccc(c1)SC2=NN3C(=NNC3=O)C=C2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CSc1cccc(c1)SC2=NN3C(=NNC3=O)C=C2 |
