K0Z
Summary
| Name: | (~{E})-~{N}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide |
| Formula: | C13 H9 Br N4 O3 S |
| Formal charge: | 0 |
| Formula weight: | 381.205 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (~{E})-~{N}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H9BrN4O3S/c1-21-10-5-7(2-3-9(10)19)4-8(6-15)11(20)16-13-18-17-12(14)22-13/h2-5,19H,1H3,(H,16,18,20)/b8-4+ |
| InChIKey | InChI | 1.03 | IOTWDUPCILVATH-XBXARRHUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(ccc1O)\C=C(/C#N)C(=O)Nc2sc(Br)nn2 |
| SMILES | CACTVS | 3.385 | COc1cc(ccc1O)C=C(C#N)C(=O)Nc2sc(Br)nn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(ccc1O)/C=C(\C#N)/C(=O)Nc2nnc(s2)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(ccc1O)C=C(C#N)C(=O)Nc2nnc(s2)Br |
