UZW
Summary
| Name: | ~{N}-oxidanyl-4-[(5-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)methyl]benzamide |
| Formula: | C13 H11 N5 O2 S |
| Formal charge: | 0 |
| Formula weight: | 301.324 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-oxidanyl-4-[(5-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)methyl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H11N5O2S/c19-13(15-20)10-5-3-9(4-6-10)8-18-12(14-16-17-18)11-2-1-7-21-11/h1-7,20H,8H2,(H,15,19) |
| InChIKey | InChI | 1.03 | UFUGFWWXDWPEQE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ONC(=O)c1ccc(Cn2nnnc2c3sccc3)cc1 |
| SMILES | CACTVS | 3.385 | ONC(=O)c1ccc(Cn2nnnc2c3sccc3)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)c2nnnn2Cc3ccc(cc3)C(=O)NO |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)c2nnnn2Cc3ccc(cc3)C(=O)NO |
