JMJ
Summary
| Name: | N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide |
| Formula: | C8 H7 N3 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 241.29 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2coc(C(Nc1nnc(SC)s1)=O)c2 |
| InChI | InChI | 1.03 | InChI=1S/C8H7N3O2S2/c1-14-8-11-10-7(15-8)9-6(12)5-3-2-4-13-5/h2-4H,1H3,(H,9,10,12) |
| InChIKey | InChI | 1.03 | OEGYSMUYNKDGCN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1sc(NC(=O)c2occc2)nn1 |
| SMILES | CACTVS | 3.385 | CSc1sc(NC(=O)c2occc2)nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CSc1nnc(s1)NC(=O)c2ccco2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CSc1nnc(s1)NC(=O)c2ccco2 |
