2Q0
Summary
| Name: | (5~{Z})-5-[(4-hydroxyphenyl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| Formula: | C14 H15 N O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 293.404 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (5~{Z})-5-[(4-hydroxyphenyl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H15NO2S2/c1-9(2)8-15-13(17)12(19-14(15)18)7-10-3-5-11(16)6-4-10/h3-7,9,16H,8H2,1-2H3/b12-7- |
| InChIKey | InChI | 1.03 | GPURHDUTZUYAFI-GHXNOFRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)CN1C(=S)SC(=C/c2ccc(O)cc2)\C1=O |
| SMILES | CACTVS | 3.385 | CC(C)CN1C(=S)SC(=Cc2ccc(O)cc2)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)CN1C(=O)/C(=C/c2ccc(cc2)O)/SC1=S |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CN1C(=O)C(=Cc2ccc(cc2)O)SC1=S |
