A1C1O
Summary
| Name: | 5-(1-benzofuran-2-yl)-2H-tetrazole |
| Formula: | C9 H6 N4 O |
| Formal charge: | 0 |
| Formula weight: | 186.17 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 5-(1-benzofuran-2-yl)-2H-tetrazole |
| OpenEye OEToolkits | 3.1.0.0 | 5-(1-benzofuran-2-yl)-2~{H}-1,2,3,4-tetrazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | c1cccc2oc(cc12)c1n[NH]nn1 |
| InChI | InChI | 1.06 | InChI=1S/C9H6N4O/c1-2-4-7-6(3-1)5-8(14-7)9-10-12-13-11-9/h1-5H,(H,10,11,12,13) |
| InChIKey | InChI | 1.06 | VAHCWUJHXCNFMS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [nH]1nnc(n1)c2oc3ccccc3c2 |
| SMILES | CACTVS | 3.385 | [nH]1nnc(n1)c2oc3ccccc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)cc(o2)c3n[nH]nn3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)cc(o2)c3n[nH]nn3 |
