GM5

~{N}-oxidanyl-3-[1-(phenylsulfanylmethyl)-1,2,3-triazol-4-yl]benzamide

Created:2018-09-28
Last modified:  2018-10-31

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Chemical Details

Formal Charge0
Atom Count37
Chiral Atom Count0
Bond Count39
Aromatic Bond Count17
2D diagram of GM5

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Chemical Component Summary

Name~{N}-oxidanyl-3-[1-(phenylsulfanylmethyl)-1,2,3-triazol-4-yl]benzamide
Systematic Name (OpenEye OEToolkits)~{N}-oxidanyl-3-[1-(phenylsulfanylmethyl)-1,2,3-triazol-4-yl]benzamide
FormulaC16 H14 N4 O2 S
Molecular Weight326.373
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385ONC(=O)c1cccc(c1)c2cn(CSc3ccccc3)nn2
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)SCn2cc(nn2)c3cccc(c3)C(=O)NO
Canonical SMILESCACTVS3.385 ONC(=O)c1cccc(c1)c2cn(CSc3ccccc3)nn2
Canonical SMILESOpenEye OEToolkits2.0.6 c1ccc(cc1)SCn2cc(nn2)c3cccc(c3)C(=O)NO
InChIInChI1.03 InChI=1S/C16H14N4O2S/c21-16(18-22)13-6-4-5-12(9-13)15-10-20(19-17-15)11-23-14-7-2-1-3-8-14/h1-10,22H,11H2,(H,18,21)
InChIKeyInChI1.03 DORPIZJGSLWDIY-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL2178342
PubChem 135567459
ChEMBL CHEMBL2178342