A1L6Q

(2~{E})-2-[(4~{R})-4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-yl-ethanenitrile

Created:	2024-12-07
Last modified:	2025-05-21

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2 entries where A1L6Q is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	1
Bond Count	32
Aromatic Bond Count	11

2D diagram of A1L6Q

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Chemical Component Summary
Name	(2~{E})-2-[(4~{R})-4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-yl-ethanenitrile
Synonyms	lanoconazole
Systematic Name (OpenEye OEToolkits)	(2~{E})-2-[(4~{R})-4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-yl-ethanenitrile
Formula	C₁₄ H₁₀ Cl N₃ S₂
Molecular Weight	319.832
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Clc1ccccc1[CH]2CSC(S2)=C(C#N)n3ccnc3
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)C2CSC(=C(C#N)n3ccnc3)S2)Cl
Canonical SMILES	CACTVS	3.385	Clc1ccccc1[C@@H]2CSC(/S2)=C(/C#N)n3ccnc3
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)[C@@H]2CS/C(=C(/C#N)\n3ccnc3)/S2)Cl
InChI	InChI	1.06	InChI=1S/C14H10ClN3S2/c15-11-4-2-1-3-10(11)13-8-19-14(20-13)12(7-16)18-6-5-17-9-18/h1-6,9,13H,8H2/b14-12+/t13-/m0/s1
InChIKey	InChI	1.06	ZRTQSJFIDWNVJW-REQDGWNSSA-N

Related Resource References

Resource Name	Reference
PubChem	9861867

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.