LCT
Summary
| Name: | N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide |
| Formula: | C10 H8 N4 O3 S |
| Formal charge: | 0 |
| Formula weight: | 264.261 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide |
| OpenEye OEToolkits | 1.7.6 | N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1nnc(s1)c2ccc([N+]([O-])=O)cc2)C |
| InChI | InChI | 1.03 | InChI=1S/C10H8N4O3S/c1-6(15)11-10-13-12-9(18-10)7-2-4-8(5-3-7)14(16)17/h2-5H,1H3,(H,11,13,15) |
| InChIKey | InChI | 1.03 | KTJUGKNFZGGFIC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1sc(nn1)c2ccc(cc2)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | CC(=O)Nc1sc(nn1)c2ccc(cc2)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)Nc1nnc(s1)c2ccc(cc2)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)Nc1nnc(s1)c2ccc(cc2)[N+](=O)[O-] |
