4WD
Summary
| Name: | (5~{Z})-5-[(3-ethynyl-4-methoxy-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| Formula: | C13 H9 N O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 275.346 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (5~{Z})-5-[(3-ethynyl-4-methoxy-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H9NO2S2/c1-3-9-6-8(4-5-10(9)16-2)7-11-12(15)14-13(17)18-11/h1,4-7H,2H3,(H,14,15,17)/b11-7- |
| InChIKey | InChI | 1.03 | RTWZVEFITSUGJS-XFFZJAGNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(\C=C2/SC(=S)NC2=O)cc1C#C |
| SMILES | CACTVS | 3.385 | COc1ccc(C=C2SC(=S)NC2=O)cc1C#C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1C#C)/C=C\2/C(=O)NC(=S)S2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1C#C)C=C2C(=O)NC(=S)S2 |
