ANV

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

Created:2016-07-19
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 ANV

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Chemical Component Summary

Name1-[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]-4-(phenoxymethyl)-1,2,3-triazole
Systematic Name (OpenEye OEToolkits)1-[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]-4-(phenoxymethyl)-1,2,3-triazole
FormulaC15 H16 N4 O3 S
Molecular Weight332.378
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385N[S](O)(O)c1ccc(cc1)n2cc(COc3ccccc3)nn2
SMILESOpenEye OEToolkits2.0.5c1ccc(cc1)OCc2cn(nn2)c3ccc(cc3)S(N)(O)O
Canonical SMILESCACTVS3.385 N[S](O)(O)c1ccc(cc1)n2cc(COc3ccccc3)nn2
Canonical SMILESOpenEye OEToolkits2.0.5 c1ccc(cc1)OCc2cn(nn2)c3ccc(cc3)S(N)(O)O
InChIInChI1.03 InChI=1S/C15H16N4O3S/c16-23(20,21)15-8-6-13(7-9-15)19-10-12(17-18-19)11-22-14-4-2-1-3-5-14/h1-10,20-21H,11,16H2
InChIKeyInChI1.03 SJPPVLBPVQBKDK-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 137348933