GVY
Summary
| Name: | 4-(5-amino-1,3,4-thiadiazol-2-yl)phenol |
| Formula: | C8 H7 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 193.226 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(5-amino-1,3,4-thiadiazol-2-yl)phenol |
| OpenEye OEToolkits | 2.0.6 | 4-(5-azanyl-1,3,4-thiadiazol-2-yl)phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2c(c1ccc(cc1)O)sc(N)n2 |
| InChI | InChI | 1.03 | InChI=1S/C8H7N3OS/c9-8-11-10-7(13-8)5-1-3-6(12)4-2-5/h1-4,12H,(H2,9,11) |
| InChIKey | InChI | 1.03 | ZLHDTOUWXDZDGO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1sc(nn1)c2ccc(O)cc2 |
| SMILES | CACTVS | 3.385 | Nc1sc(nn1)c2ccc(O)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1c2nnc(s2)N)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1c2nnc(s2)N)O |
