A1CA9
Summary
| Name: | N-(1,3-thiazol-2-yl)quinoxaline-6-carboxamide |
| Formula: | C12 H8 N4 O S |
| Formal charge: | 0 |
| Formula weight: | 256.283 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-(1,3-thiazol-2-yl)quinoxaline-6-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-(1,3-thiazol-2-yl)quinoxaline-6-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Nc1nccs1)c1cc2nccnc2cc1 |
| InChI | InChI | 1.06 | InChI=1S/C12H8N4OS/c17-11(16-12-15-5-6-18-12)8-1-2-9-10(7-8)14-4-3-13-9/h1-7H,(H,15,16,17) |
| InChIKey | InChI | 1.06 | GKTOUDJRQSWCBO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1sccn1)c2ccc3nccnc3c2 |
| SMILES | CACTVS | 3.385 | O=C(Nc1sccn1)c2ccc3nccnc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1C(=O)Nc3nccs3)nccn2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1C(=O)Nc3nccs3)nccn2 |
