A1ETL
Summary
| Name: | 5-[2-fluoranyl-4-[1-(3-methylbutyl)azetidin-3-yl]-6-oxidanyl-phenyl]-1,1-bis(oxidanylidene)-1,2,5-thiadiazolidin-3-one |
| Formula: | C16 H22 F N3 O4 S |
| Formal charge: | 0 |
| Formula weight: | 371.427 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[2-fluoranyl-4-[1-(3-methylbutyl)azetidin-3-yl]-6-oxidanyl-phenyl]-1,1-bis(oxidanylidene)-1,2,5-thiadiazolidin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H22FN3O4S/c1-10(2)3-4-19-7-12(8-19)11-5-13(17)16(14(21)6-11)20-9-15(22)18-25(20,23)24/h5-6,10,12,21H,3-4,7-9H2,1-2H3,(H,18,22) |
| InChIKey | InChI | 1.06 | DCGHMVNIHXCUSH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)CCN1CC(C1)c2cc(O)c(N3CC(=O)N[S]3(=O)=O)c(F)c2 |
| SMILES | CACTVS | 3.385 | CC(C)CCN1CC(C1)c2cc(O)c(N3CC(=O)N[S]3(=O)=O)c(F)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)CCN1CC(C1)c2cc(c(c(c2)F)N3CC(=O)NS3(=O)=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CCN1CC(C1)c2cc(c(c(c2)F)N3CC(=O)NS3(=O)=O)O |
