A1I95
Summary
| Name: | ~{N}-(5-chloranyl-2-oxidanyl-phenyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide |
| Formula: | C15 H10 Cl N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 331.777 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(5-chloranyl-2-oxidanyl-phenyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H10ClN3O2S/c16-10-1-2-12(20)11(7-10)19-14(21)13-8-18-15(22-13)9-3-5-17-6-4-9/h1-8,20H,(H,19,21) |
| InChIKey | InChI | 1.06 | OQQPSKSWHONMFF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(Cl)cc1NC(=O)c2sc(nc2)c3ccncc3 |
| SMILES | CACTVS | 3.385 | Oc1ccc(Cl)cc1NC(=O)c2sc(nc2)c3ccncc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1Cl)NC(=O)c2cnc(s2)c3ccncc3)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1Cl)NC(=O)c2cnc(s2)c3ccncc3)O |
