FJ8
Summary
| Name: | ~{N}-[(~{E})-(4-methylphenyl)methylideneamino]-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanamide |
| Formula: | C11 H12 N6 O |
| Formal charge: | 0 |
| Formula weight: | 244.253 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[(~{E})-(4-methylphenyl)methylideneamino]-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H12N6O/c1-8-2-4-9(5-3-8)7-12-15-11(18)6-10-13-16-17-14-10/h2-5,7H,6H2,1H3,(H,15,18)(H,13,14,16,17)/b12-7+ |
| InChIKey | InChI | 1.03 | CVRGHXWTBXFGAR-KPKJPENVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1)/C=N/NC(=O)Cc2n[nH]nn2 |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1)C=NNC(=O)Cc2n[nH]nn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1)/C=N/NC(=O)Cc2n[nH]nn2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1)C=NNC(=O)Cc2n[nH]nn2 |
