657
Summary
| Name: | 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine |
| Synonyms: | Riluzole |
| Formula: | C8 H5 F3 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 234.198 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine |
| OpenEye OEToolkits | 2.0.4 | 6-(trifluoromethyloxy)-1,3-benzothiazol-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c12cc(OC(F)(F)F)ccc1nc(N)s2 |
| InChI | InChI | 1.03 | InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13) |
| InChIKey | InChI | 1.03 | FTALBRSUTCGOEG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1sc2cc(OC(F)(F)F)ccc2n1 |
| SMILES | CACTVS | 3.385 | Nc1sc2cc(OC(F)(F)F)ccc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc2c(cc1OC(F)(F)F)sc(n2)N |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc2c(cc1OC(F)(F)F)sc(n2)N |
