BU7
Summary
| Name: | (5E)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-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 |
| ACDLabs | 12.01 | (5E)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| OpenEye OEToolkits | 2.0.6 | (5~{E})-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCCCN2C(=O)/C(=C\c1ccc(cc1)O)SC2=S |
| InChI | InChI | 1.03 | InChI=1S/C14H15NO2S2/c1-2-3-8-15-13(17)12(19-14(15)18)9-10-4-6-11(16)7-5-10/h4-7,9,16H,2-3,8H2,1H3/b12-9+ |
| InChIKey | InChI | 1.03 | WYSQOCWIYDTTJF-FMIVXFBMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCN1C(=S)SC(=C/c2ccc(O)cc2)/C1=O |
| SMILES | CACTVS | 3.385 | CCCCN1C(=S)SC(=Cc2ccc(O)cc2)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCCN1C(=O)/C(=C\c2ccc(cc2)O)/SC1=S |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCCN1C(=O)C(=Cc2ccc(cc2)O)SC1=S |
