2GA

2-[(3,5-DIMETHYL-1H-PYRAZOL-4-YL)SULFANYL]-5-METHYLSULFANYL-1,3,4-THIADIAZOLE

Created:	2011-03-25
Last modified:	2011-06-04

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1 entries where 2GA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	10

2D diagram of 2GA

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Chemical Component Summary
Name	2-[(3,5-DIMETHYL-1H-PYRAZOL-4-YL)SULFANYL]-5-METHYLSULFANYL-1,3,4-THIADIAZOLE
Systematic Name (OpenEye OEToolkits)	2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
Formula	C₈ H₁₀ N₄ S₃
Molecular Weight	258.387
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n2c(c(Sc1nnc(SC)s1)c(n2)C)C
SMILES	CACTVS	3.370	CSc1sc(Sc2c(C)[nH]nc2C)nn1
SMILES	OpenEye OEToolkits	1.7.0	Cc1c(c(n[nH]1)C)Sc2nnc(s2)SC
Canonical SMILES	CACTVS	3.370	CSc1sc(Sc2c(C)[nH]nc2C)nn1
Canonical SMILES	OpenEye OEToolkits	1.7.0	Cc1c(c(n[nH]1)C)Sc2nnc(s2)SC
InChI	InChI	1.03	InChI=1S/C8H10N4S3/c1-4-6(5(2)10-9-4)14-8-12-11-7(13-3)15-8/h1-3H3,(H,9,10)
InChIKey	InChI	1.03	PNARKDACJAPELK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2746066

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