HV4
Summary
| Name: | (5Z)-5-({4-[(prop-2-yn-1-yl)oxy]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 |
| ACDLabs | 12.01 | (5Z)-5-({4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one |
| OpenEye OEToolkits | 2.0.6 | (5~{Z})-5-[(4-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(#C)COc1ccc(cc1)\C=C2/SC(=S)NC2=O |
| InChI | InChI | 1.03 | InChI=1S/C13H9NO2S2/c1-2-7-16-10-5-3-9(4-6-10)8-11-12(15)14-13(17)18-11/h1,3-6,8H,7H2,(H,14,15,17)/b11-8- |
| InChIKey | InChI | 1.03 | QREKGPHPIGGKCE-FLIBITNWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C/1NC(=S)SC/1=C/c2ccc(OCC#C)cc2 |
| SMILES | CACTVS | 3.385 | O=C1NC(=S)SC1=Cc2ccc(OCC#C)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C#CCOc1ccc(cc1)/C=C\2/C(=O)NC(=S)S2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | C#CCOc1ccc(cc1)C=C2C(=O)NC(=S)S2 |
