J4Q

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

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

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4 entries where J4Q is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	10

2D diagram of J4Q

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Chemical Component Summary
Name	4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazole
Systematic Name (OpenEye OEToolkits)	4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazole
Formula	C₈ H₉ N₃ O₂ S₂
Molecular Weight	243.306
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[S](=O)(=O)c1nccn1Cc2cscn2
SMILES	OpenEye OEToolkits	2.0.6	CS(=O)(=O)c1nccn1Cc2cscn2
Canonical SMILES	CACTVS	3.385	C[S](=O)(=O)c1nccn1Cc2cscn2
Canonical SMILES	OpenEye OEToolkits	2.0.6	CS(=O)(=O)c1nccn1Cc2cscn2
InChI	InChI	1.03	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
InChIKey	InChI	1.03	DWPGGNJRLYKHCD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	71981265

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