BTE
Summary
| Name: | 2,1,3-benzothiadiazol-4-amine |
| Formula: | C6 H5 N3 S |
| Formal charge: | 0 |
| Formula weight: | 151.189 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,1,3-benzothiadiazol-4-amine |
| OpenEye OEToolkits | 1.7.6 | 2,1,3-benzothiadiazol-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1snc2c(cccc12)N |
| InChI | InChI | 1.03 | InChI=1S/C6H5N3S/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H,7H2 |
| InChIKey | InChI | 1.03 | DRLGIZIAMHIQHL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1cccc2nsnc12 |
| SMILES | CACTVS | 3.370 | Nc1cccc2nsnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c2c(c1)nsn2)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c2c(c1)nsn2)N |
