A1CPI
Summary
| Name: | N-phenyl-1,3,4-thiadiazol-2-amine |
| Formula: | C8 H7 N3 S |
| Formal charge: | 0 |
| Formula weight: | 177.226 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-phenyl-1,3,4-thiadiazol-2-amine |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-phenyl-1,3,4-thiadiazol-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | c1cc(Nc2nncs2)ccc1 |
| InChI | InChI | 1.06 | InChI=1S/C8H7N3S/c1-2-4-7(5-3-1)10-8-11-9-6-12-8/h1-6H,(H,10,11) |
| InChIKey | InChI | 1.06 | BHJAUMXRPZNJEI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N(c1scnn1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | N(c1scnn1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)Nc2nncs2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)Nc2nncs2 |
