JQN
Summary
| Name: | 5-[2-(4-methylphenyl)sulfanylethanoyl]-1,3-dihydroindol-2-one |
| Formula: | C17 H15 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 297.372 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 5-[2-(4-methylphenyl)sulfanylethanoyl]-1,3-dihydroindol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H15NO2S/c1-11-2-5-14(6-3-11)21-10-16(19)12-4-7-15-13(8-12)9-17(20)18-15/h2-8H,9-10H2,1H3,(H,18,20) |
| InChIKey | InChI | 1.03 | RXONTIZYFOQKAA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(SCC(=O)c2ccc3NC(=O)Cc3c2)cc1 |
| SMILES | CACTVS | 3.385 | Cc1ccc(SCC(=O)c2ccc3NC(=O)Cc3c2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ccc(cc1)SCC(=O)c2ccc3c(c2)CC(=O)N3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ccc(cc1)SCC(=O)c2ccc3c(c2)CC(=O)N3 |
