FXN
Summary
| Name: | 5-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID-(2-MERCAPTO-ETHYL)-AMIDE |
| Synonyms: | FICA |
| Formula: | C11 H11 F N2 O S |
| Formal charge: | 0 |
| Formula weight: | 238.281 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-fluoro-N-(2-sulfanylethyl)-1H-indole-2-carboxamide |
| OpenEye OEToolkits | 1.5.0 | 5-fluoro-N-(2-sulfanylethyl)-1H-indole-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Fc1cc2c(cc1)nc(c2)C(=O)NCCS |
| SMILES_CANONICAL | CACTVS | 3.341 | Fc1ccc2[nH]c(cc2c1)C(=O)NCCS |
| SMILES | CACTVS | 3.341 | Fc1ccc2[nH]c(cc2c1)C(=O)NCCS |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1F)cc([nH]2)C(=O)NCCS |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1F)cc([nH]2)C(=O)NCCS |
| InChI | InChI | 1.03 | InChI=1S/C11H11FN2OS/c12-8-1-2-9-7(5-8)6-10(14-9)11(15)13-3-4-16/h1-2,5-6,14,16H,3-4H2,(H,13,15) |
| InChIKey | InChI | 1.03 | JFUIHGAGFMFNRD-UHFFFAOYSA-N |
