G18
Summary
| Name: | 4H-thieno[2,3-c]isoquinolin-5-one |
| Formula: | C11 H7 N O S |
| Formal charge: | 0 |
| Formula weight: | 201.244 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | thieno[2,3-c]isoquinolin-5(4H)-one |
| OpenEye OEToolkits | 1.9.2 | 4H-thieno[2,3-c]isoquinolin-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2c3c(c1c(scc1)N2)cccc3 |
| InChI | InChI | 1.03 | InChI=1S/C11H7NOS/c13-10-8-4-2-1-3-7(8)9-5-6-14-11(9)12-10/h1-6H,(H,12,13) |
| InChIKey | InChI | 1.03 | LQJVOLSLAFIXSV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1Nc2sccc2c3ccccc13 |
| SMILES | CACTVS | 3.385 | O=C1Nc2sccc2c3ccccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)-c3ccsc3NC2=O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)-c3ccsc3NC2=O |
