HYT

2-methyl-5-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,3-triazole-4-carboxamide

Created: 2017-01-16
Last modified:  2017-03-08

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Chemical Details

Formal Charge0
Atom Count36
Chiral Atom Count0
Bond Count38
Aromatic Bond Count17
2D diagram of HYT
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Chemical Component Summary

Name2-methyl-5-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,3-triazole-4-carboxamide
Systematic Name (OpenEye OEToolkits)2-methyl-5-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,3-triazole-4-carboxamide
FormulaC16 H10 F4 N4 O2
Molecular Weight366.27
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385Cn1nc(O)c(n1)C(=O)Nc2c(F)c(F)c(c(F)c2F)c3ccccc3
SMILESOpenEye OEToolkits2.0.6Cn1nc(c(n1)O)C(=O)Nc2c(c(c(c(c2F)F)c3ccccc3)F)F
Canonical SMILESCACTVS3.385 Cn1nc(O)c(n1)C(=O)Nc2c(F)c(F)c(c(F)c2F)c3ccccc3
Canonical SMILESOpenEye OEToolkits2.0.6 Cn1nc(c(n1)O)C(=O)Nc2c(c(c(c(c2F)F)c3ccccc3)F)F
InChIInChI1.03 InChI=1S/C16H10F4N4O2/c1-24-22-14(16(26)23-24)15(25)21-13-11(19)9(17)8(10(18)12(13)20)7-5-3-2-4-6-7/h2-6H,1H3,(H,21,25)(H,23,26)
InChIKeyInChI1.03 NRGHNOMCGATBLG-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL4062046
PubChem 124220265
ChEMBL CHEMBL4062046