SXQ
Summary
| Name: | 3-(3,4-dichlorophenyl)sulfanyl-1$l^{4},2,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-9-one |
| Formula: | C11 H6 Cl2 N4 O S |
| Formal charge: | 0 |
| Formula weight: | 313.163 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-(3,4-dichlorophenyl)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/C11H6Cl2N4OS/c12-7-2-1-6(5-8(7)13)19-10-4-3-9-14-15-11(18)17(9)16-10/h1-5H,(H,15,18) |
| InChIKey | InChI | 1.03 | DYBIDXYUMDMCON-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(SC2=NN3C(=O)NN=C3C=C2)cc1Cl |
| SMILES | CACTVS | 3.385 | Clc1ccc(SC2=NN3C(=O)NN=C3C=C2)cc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1SC2=NN3C(=NNC3=O)C=C2)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1SC2=NN3C(=NNC3=O)C=C2)Cl)Cl |
