1AJ
Summary
| Name: | 6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl(1H-imidazol-1-yl)methanone |
| Formula: | C11 H11 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 233.29 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl(1H-imidazol-1-yl)methanone |
| OpenEye OEToolkits | 1.7.6 | 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(imidazol-1-yl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N2CCc1sccc1C2)n3ccnc3 |
| InChI | InChI | 1.03 | InChI=1S/C11H11N3OS/c15-11(14-5-3-12-8-14)13-4-1-10-9(7-13)2-6-16-10/h2-3,5-6,8H,1,4,7H2 |
| InChIKey | InChI | 1.03 | APSNVRPXZYEUPY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O=C(N1CCc2sccc2C1)n3ccnc3 |
| SMILES | CACTVS | 3.370 | O=C(N1CCc2sccc2C1)n3ccnc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1csc2c1CN(CC2)C(=O)n3ccnc3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1csc2c1CN(CC2)C(=O)n3ccnc3 |
