A5Q
Summary
| Name: | 4-[4-(trifluoromethyl)phenyl]-1,2,3-thiadiazol-5-amine |
| Formula: | C9 H6 F3 N3 S |
| Formal charge: | 0 |
| Formula weight: | 245.224 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-[4-(trifluoromethyl)phenyl]-1,2,3-thiadiazol-5-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H6F3N3S/c10-9(11,12)6-3-1-5(2-4-6)7-8(13)16-15-14-7/h1-4H,13H2 |
| InChIKey | InChI | 1.03 | URPRRYYGDXSCNR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1snnc1c2ccc(cc2)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Nc1snnc1c2ccc(cc2)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1c2c(snn2)N)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1c2c(snn2)N)C(F)(F)F |
