A1EJ8
Summary
| Name: | 4-fluoranyl-1,1-bis(oxidanylidene)-~{N}-(2-pyrrolidin-1-ylphenyl)-1,2-benzothiazol-3-amine |
| Formula: | C17 H16 F N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 345.391 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-fluoranyl-1,1-bis(oxidanylidene)-~{N}-(2-pyrrolidin-1-ylphenyl)-1,2-benzothiazol-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H16FN3O2S/c18-12-6-5-9-15-16(12)17(20-24(15,22)23)19-13-7-1-2-8-14(13)21-10-3-4-11-21/h1-2,5-9H,3-4,10-11H2,(H,19,20) |
| InChIKey | InChI | 1.06 | KDNTZQZATKIDDU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cccc2c1C(=N[S]2(=O)=O)Nc3ccccc3N4CCCC4 |
| SMILES | CACTVS | 3.385 | Fc1cccc2c1C(=N[S]2(=O)=O)Nc3ccccc3N4CCCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)NC2=NS(=O)(=O)c3c2c(ccc3)F)N4CCCC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)NC2=NS(=O)(=O)c3c2c(ccc3)F)N4CCCC4 |
