UZW
~{N}-oxidanyl-4-[(5-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)methyl]benzamide
Created: | 2021-03-31 |
Last modified: | 2021-10-27 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 32 |
Chiral Atom Count | 0 |
Bond Count | 34 |
Aromatic Bond Count | 16 |
Chemical Component Summary | |
---|---|
Name | ~{N}-oxidanyl-4-[(5-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)methyl]benzamide |
Systematic Name (OpenEye OEToolkits) | ~{N}-oxidanyl-4-[(5-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)methyl]benzamide |
Formula | C13 H11 N5 O2 S |
Molecular Weight | 301.324 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | ONC(=O)c1ccc(Cn2nnnc2c3sccc3)cc1 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)c2nnnn2Cc3ccc(cc3)C(=O)NO |
Canonical SMILES | CACTVS | 3.385 | ONC(=O)c1ccc(Cn2nnnc2c3sccc3)cc1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)c2nnnn2Cc3ccc(cc3)C(=O)NO |
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 |
Related Resource References
Resource Name | Reference |
---|---|
Pharos | CHEMBL4448410 |
PubChem | 135357843 |
ChEMBL | CHEMBL4448410 |