J4Q

4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazole

Created:2019-01-24
Last modified:  2019-02-27

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Chemical Details

Formal Charge0
Atom Count24
Chiral Atom Count0
Bond Count25
Aromatic Bond Count10
2D diagram of J4Q

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Chemical Component Summary

Name4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazole
Systematic Name (OpenEye OEToolkits)4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazole
FormulaC8 H9 N3 O2 S2
Molecular Weight243.306
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385C[S](=O)(=O)c1nccn1Cc2cscn2
SMILESOpenEye OEToolkits2.0.6CS(=O)(=O)c1nccn1Cc2cscn2
Canonical SMILESCACTVS3.385 C[S](=O)(=O)c1nccn1Cc2cscn2
Canonical SMILESOpenEye OEToolkits2.0.6 CS(=O)(=O)c1nccn1Cc2cscn2
InChIInChI1.03 InChI=1S/C8H9N3O2S2/c1-15(12,13)8-9-2-3-11(8)4-7-5-14-6-10-7/h2-3,5-6H,4H2,1H3
InChIKeyInChI1.03 DWPGGNJRLYKHCD-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 71981265