V7Q
Summary
| Name: | 2,1,3-benzothiadiazol-4-ylmethanamine |
| Synonyms: | Benzo[c][1,2,5]thiadiazol-4-ylmethanamine 2795209 |
| Formula: | C7 H7 N3 S |
| Formal charge: | 0 |
| Formula weight: | 165.216 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2,1,3-benzothiadiazol-4-ylmethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H7N3S/c8-4-5-2-1-3-6-7(5)10-11-9-6/h1-3H,4,8H2 |
| InChIKey | InChI | 1.03 | HMEXAOROCQLCJX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1cccc2nsnc12 |
| SMILES | CACTVS | 3.385 | NCc1cccc2nsnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c2c(c1)nsn2)CN |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c2c(c1)nsn2)CN |
