A1IYY
Summary
| Name: | (2~{Z},5~{Z})-2-(3-fluorophenyl)imino-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-1,3-thiazolidin-4-one |
| Formula: | C17 H13 F N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 344.36 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{Z},5~{Z})-2-(3-fluorophenyl)imino-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-1,3-thiazolidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H13FN2O3S/c1-23-14-6-5-10(7-13(14)21)8-15-16(22)20-17(24-15)19-12-4-2-3-11(18)9-12/h2-9,21H,1H3,(H,19,20,22)/b15-8- |
| InChIKey | InChI | 1.06 | SRBXBEVOYNFMHC-NVNXTCNLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1O)\C=C\2SC(NC\2=O)=Nc3cccc(F)c3 |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1O)C=C2SC(NC2=O)=Nc3cccc(F)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1O)/C=C\2/C(=O)N/C(=N/c3cccc(c3)F)/S2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1O)C=C2C(=O)NC(=Nc3cccc(c3)F)S2 |
