ZRL
Summary
| Name: | 7-BROMO-2-PYRIDIN-4-YL-5H-THIENO[3,2-C]PYRIDIN-4-ONE |
| Formula: | C12 H7 Br N2 O S |
| Formal charge: | 0 |
| Formula weight: | 307.166 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 7-bromanyl-2-pyridin-4-yl-5~{H}-thieno[3,2-c]pyridin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H7BrN2OS/c13-9-6-15-12(16)8-5-10(17-11(8)9)7-1-3-14-4-2-7/h1-6H,(H,15,16) |
| InChIKey | InChI | 1.06 | YFBJHINTWOTPAK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | BrC1=CNC(=O)c2cc(sc12)c3ccncc3 |
| SMILES | CACTVS | 3.385 | BrC1=CNC(=O)c2cc(sc12)c3ccncc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cnccc1c2cc3c(s2)C(=CNC3=O)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cnccc1c2cc3c(s2)C(=CNC3=O)Br |
