ZI9
Summary
| Name: | 3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-bis(fluoranyl)benzamide |
| Formula: | C16 H9 F2 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 345.323 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-bis(fluoranyl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H9F2N3O2S/c1-2-8-5-10-16(20-6-8)24-12(21-10)7-23-11-4-3-9(17)13(14(11)18)15(19)22/h1,3-6H,7H2,(H2,19,22) |
| InChIKey | InChI | 1.06 | SCUOMBYZGFZRIF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1c(F)ccc(OCc2sc3ncc(cc3n2)C#C)c1F |
| SMILES | CACTVS | 3.385 | NC(=O)c1c(F)ccc(OCc2sc3ncc(cc3n2)C#C)c1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C#Cc1cc2c(nc1)sc(n2)COc3ccc(c(c3F)C(=O)N)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | C#Cc1cc2c(nc1)sc(n2)COc3ccc(c(c3F)C(=O)N)F |
