0DQ
Summary
| Name: | 4-phenyl-1,2,3-thiadiazol-5-amine |
| Formula: | C8 H7 N3 S |
| Formal charge: | 0 |
| Formula weight: | 177.226 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-phenyl-1,2,3-thiadiazol-5-amine |
| OpenEye OEToolkits | 1.7.6 | 4-phenyl-1,2,3-thiadiazol-5-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1nsc(c1c2ccccc2)N |
| InChI | InChI | 1.03 | InChI=1S/C8H7N3S/c9-8-7(10-11-12-8)6-4-2-1-3-5-6/h1-5H,9H2 |
| InChIKey | InChI | 1.03 | VPHYLVGCMWSAEJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1snnc1c2ccccc2 |
| SMILES | CACTVS | 3.370 | Nc1snnc1c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2c(snn2)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2c(snn2)N |
