RDJ
Summary
| Name: | N-ethyl-2-{[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide |
| Formula: | C9 H15 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 229.299 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-ethyl-2-{[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-ethyl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(SCC(=O)NCC)nnc(o1)C(C)C |
| InChI | InChI | 1.03 | InChI=1S/C9H15N3O2S/c1-4-10-7(13)5-15-9-12-11-8(14-9)6(2)3/h6H,4-5H2,1-3H3,(H,10,13) |
| InChIKey | InChI | 1.03 | DWIDCIXKOJCTSJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNC(=O)CSc1oc(nn1)C(C)C |
| SMILES | CACTVS | 3.385 | CCNC(=O)CSc1oc(nn1)C(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCNC(=O)CSc1nnc(o1)C(C)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCNC(=O)CSc1nnc(o1)C(C)C |
