A6N

4-[[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenoxy]methyl]-1-phenyl-1,2,3-triazole

Created:2016-07-20
Last modified:  2017-06-21

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Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count0
Bond Count41
Aromatic Bond Count17
2D diagram of A6N

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Chemical Component Summary

Name4-[[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenoxy]methyl]-1-phenyl-1,2,3-triazole
Systematic Name (OpenEye OEToolkits)4-[[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenoxy]methyl]-1-phenyl-1,2,3-triazole
FormulaC15 H16 N4 O3 S
Molecular Weight332.378
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385N[S](O)(O)c1ccc(OCc2cn(nn2)c3ccccc3)cc1
SMILESOpenEye OEToolkits2.0.5c1ccc(cc1)n2cc(nn2)COc3ccc(cc3)S(N)(O)O
Canonical SMILESCACTVS3.385 N[S](O)(O)c1ccc(OCc2cn(nn2)c3ccccc3)cc1
Canonical SMILESOpenEye OEToolkits2.0.5 c1ccc(cc1)n2cc(nn2)COc3ccc(cc3)S(N)(O)O
InChIInChI1.03 InChI=1S/C15H16N4O3S/c16-23(20,21)15-8-6-14(7-9-15)22-11-12-10-19(18-17-12)13-4-2-1-3-5-13/h1-10,20-21H,11,16H2
InChIKeyInChI1.03 CAKKFQLFMKZHOH-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 137348899