A1AXZ

3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one

Created:	2024-07-11
Last modified:	2025-03-26

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1 entries where A1AXZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	6

2D diagram of A1AXZ

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Chemical Component Summary
Name	3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one
Systematic Name (OpenEye OEToolkits)	3-(2-phenylethyl)-2-sulfanylidene-imidazolidin-4-one
Formula	C₁₁ H₁₂ N₂ O S
Molecular Weight	220.291
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1CNC(=S)N1CCc1ccccc1
SMILES	CACTVS	3.385	O=C1CNC(=S)N1CCc2ccccc2
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)CCN2C(=O)CNC2=S
Canonical SMILES	CACTVS	3.385	O=C1CNC(=S)N1CCc2ccccc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)CCN2C(=O)CNC2=S
InChI	InChI	1.06	InChI=1S/C11H12N2OS/c14-10-8-12-11(15)13(10)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,15)
InChIKey	InChI	1.06	CZWMOPMDVYDARG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2726668

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.