YIE

5-[(4-chlorophenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene

Created:	2015-11-15
Last modified:	2016-03-02

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1 entries where YIE is found as a standalone ligand

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Chemical Details
Formal Charge	-1
Atom Count	19
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	11

2D diagram of YIE

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Chemical Component Summary
Name	5-[(4-chlorophenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene
Systematic Name (OpenEye OEToolkits)	5-[(4-chlorophenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene
Formula	C₈ H₆ Cl N₄
Molecular Weight	193.613
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Clc1ccc(Cc2[n-]nnn2)cc1
SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1Cc2[n-]nnn2)Cl
Canonical SMILES	CACTVS	3.385	Clc1ccc(Cc2[n-]nnn2)cc1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1Cc2[n-]nnn2)Cl
InChI	InChI	1.03	InChI=1S/C8H6ClN4/c9-7-3-1-6(2-4-7)5-8-10-12-13-11-8/h1-4H,5H2/q-1
InChIKey	InChI	1.03	OWOYHKRGEMFARF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	3622479

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