S8T
Summary
| Name: | 9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine |
| Synonyms: | Isofloxythepin |
| Formula: | C17 H17 F S |
| Formal charge: | 0 |
| Formula weight: | 272.38 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H17FS/c1-11(2)13-6-8-16-14(9-13)4-3-12-5-7-15(18)10-17(12)19-16/h5-11H,3-4H2,1-2H3 |
| InChIKey | InChI | 1.03 | QEZUZXXLBLAREJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1ccc2Sc3cc(F)ccc3CCc2c1 |
| SMILES | CACTVS | 3.385 | CC(C)c1ccc2Sc3cc(F)ccc3CCc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)c1ccc2c(c1)CCc3ccc(cc3S2)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)c1ccc2c(c1)CCc3ccc(cc3S2)F |
