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

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Chemical Details

Formal Charge0
Atom Count32
Chiral Atom Count0
Bond Count34
Aromatic Bond Count16
2D diagram of UZW

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
FormulaC13 H11 N5 O2 S
Molecular Weight301.324
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385ONC(=O)c1ccc(Cn2nnnc2c3sccc3)cc1
SMILESOpenEye OEToolkits2.0.7c1cc(sc1)c2nnnn2Cc3ccc(cc3)C(=O)NO
Canonical SMILESCACTVS3.385 ONC(=O)c1ccc(Cn2nnnc2c3sccc3)cc1
Canonical SMILESOpenEye OEToolkits2.0.7 c1cc(sc1)c2nnnn2Cc3ccc(cc3)C(=O)NO
InChIInChI1.03 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)
InChIKeyInChI1.03 UFUGFWWXDWPEQE-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL4448410
PubChem 135357843
ChEMBL CHEMBL4448410