WHF
Summary
| Name: | 3-(5-AMINO-1,3,4-THIADIAZOL-2-YL)-1-THIOPHEN-2-YLPROPAN-1-ONE |
| Formula: | C9 H9 N3 O S2 |
| Formal charge: | 0 |
| Formula weight: | 239.317 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(5-amino-1,3,4-thiadiazol-2-yl)-1-thiophen-2-ylpropan-1-one |
| OpenEye OEToolkits | 1.7.2 | 3-(5-azanyl-1,3,4-thiadiazol-2-yl)-1-thiophen-2-yl-propan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1sccc1)CCc2nnc(s2)N |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1sc(CCC(=O)c2sccc2)nn1 |
| SMILES | CACTVS | 3.370 | Nc1sc(CCC(=O)c2sccc2)nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cc(sc1)C(=O)CCc2nnc(s2)N |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1cc(sc1)C(=O)CCc2nnc(s2)N |
| InChI | InChI | 1.03 | InChI=1S/C9H9N3OS2/c10-9-12-11-8(15-9)4-3-6(13)7-2-1-5-14-7/h1-2,5H,3-4H2,(H2,10,12) |
| InChIKey | InChI | 1.03 | ODSWRTIXISBLTP-UHFFFAOYSA-N |
