A1IOX
Summary
| Name: | N-phenyl-2-(1H-tetrazol-5-yl)acetamide |
| Synonyms: | ~{N}-phenyl-2-(1~{H}-1,2,3,4-tetrazol-5-yl)ethanamide |
| Formula: | C9 H9 N5 O |
| Formal charge: | 0 |
| Formula weight: | 203.201 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-phenyl-2-(1~{H}-1,2,3,4-tetrazol-5-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H9N5O/c15-9(6-8-11-13-14-12-8)10-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,15)(H,11,12,13,14) |
| InChIKey | InChI | 1.06 | WSZXJUNYWNMAOE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Cc1[nH]nnn1)Nc2ccccc2 |
| SMILES | CACTVS | 3.385 | O=C(Cc1[nH]nnn1)Nc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)NC(=O)Cc2[nH]nnn2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)NC(=O)Cc2[nH]nnn2 |
