FHQ
Summary
| Name: | ~{N}-[(~{E})-(4-bromophenyl)methylideneamino]-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanamide |
| Formula: | C10 H9 Br N6 O |
| Formal charge: | 0 |
| Formula weight: | 309.122 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[(~{E})-(4-bromophenyl)methylideneamino]-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H9BrN6O/c11-8-3-1-7(2-4-8)6-12-15-10(18)5-9-13-16-17-14-9/h1-4,6H,5H2,(H,15,18)(H,13,14,16,17)/b12-6+ |
| InChIKey | InChI | 1.03 | JWJFYTRXLSOUEZ-WUXMJOGZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1ccc(cc1)/C=N/NC(=O)Cc2n[nH]nn2 |
| SMILES | CACTVS | 3.385 | Brc1ccc(cc1)C=NNC(=O)Cc2n[nH]nn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1/C=N/NC(=O)Cc2n[nH]nn2)Br |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1C=NNC(=O)Cc2n[nH]nn2)Br |
