A1CPH
Summary
| Name: | N~5~-phenyl-1,2,4-thiadiazole-3,5-diamine |
| Formula: | C8 H8 N4 S |
| Formal charge: | 0 |
| Formula weight: | 192.241 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N~5~-phenyl-1,2,4-thiadiazole-3,5-diamine |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}5-phenyl-1,2,4-thiadiazole-3,5-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Nc1nc(Nc2ccccc2)sn1 |
| InChI | InChI | 1.06 | InChI=1S/C8H8N4S/c9-7-11-8(13-12-7)10-6-4-2-1-3-5-6/h1-5H,(H3,9,10,11,12) |
| InChIKey | InChI | 1.06 | VQILAUHHKYCEOS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nsc(Nc2ccccc2)n1 |
| SMILES | CACTVS | 3.385 | Nc1nsc(Nc2ccccc2)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)Nc2nc(ns2)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)Nc2nc(ns2)N |
