STK
Summary
| Name: | 3-(3-chlorophenyl)sulfanyl-1$l^{4},2,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-9-one |
| Formula: | C11 H7 Cl N4 O S |
| Formal charge: | 0 |
| Formula weight: | 278.717 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-(3-chlorophenyl)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/C11H7ClN4OS/c12-7-2-1-3-8(6-7)18-10-5-4-9-13-14-11(17)16(9)15-10/h1-6H,(H,14,17) |
| InChIKey | InChI | 1.03 | ONDJIHGHEXNTAW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(SC2=NN3C(=O)NN=C3C=C2)c1 |
| SMILES | CACTVS | 3.385 | Clc1cccc(SC2=NN3C(=O)NN=C3C=C2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)SC2=NN3C(=NNC3=O)C=C2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)SC2=NN3C(=NNC3=O)C=C2 |
