U3W

2-methyl-4-(phenylmethyl)-1,2,4-thiadiazolidine-3,5-dione

Created:	2021-01-20
Last modified:	2022-03-02

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1 entries where U3W 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	6

2D diagram of U3W

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Chemical Component Summary
Name	2-methyl-4-(phenylmethyl)-1,2,4-thiadiazolidine-3,5-dione
Systematic Name (OpenEye OEToolkits)	2-methyl-4-(phenylmethyl)-1,2,4-thiadiazolidine-3,5-dione
Formula	C₁₀ H₁₀ N₂ O₂ S
Molecular Weight	222.264
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN1SC(=O)N(Cc2ccccc2)C1=O
SMILES	OpenEye OEToolkits	2.0.7	CN1C(=O)N(C(=O)S1)Cc2ccccc2
Canonical SMILES	CACTVS	3.385	CN1SC(=O)N(Cc2ccccc2)C1=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN1C(=O)N(C(=O)S1)Cc2ccccc2
InChI	InChI	1.03	InChI=1S/C10H10N2O2S/c1-11-9(13)12(10(14)15-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey	InChI	1.03	JDSJDASOXWCHPN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	4124851
ChEMBL	CHEMBL284861
ChEBI	CHEBI:147411

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.