A1JUW
Summary
| Name: | 1-(9-oxidanylidenethioxanthen-2-yl)pyrrolidine-2,5-dione |
| Formula: | C17 H11 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 309.339 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-(9-oxidanylidenethioxanthen-2-yl)pyrrolidine-2,5-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H11NO3S/c19-15-7-8-16(20)18(15)10-5-6-14-12(9-10)17(21)11-3-1-2-4-13(11)22-14/h1-6,9H,7-8H2 |
| InChIKey | InChI | 1.06 | NNARTBFMPNOEGC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1CCC(=O)N1c2ccc3Sc4ccccc4C(=O)c3c2 |
| SMILES | CACTVS | 3.385 | O=C1CCC(=O)N1c2ccc3Sc4ccccc4C(=O)c3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(=O)c3cc(ccc3S2)N4C(=O)CCC4=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(=O)c3cc(ccc3S2)N4C(=O)CCC4=O |
