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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Chemical Details

Formal Charge0
Atom Count25
Chiral Atom Count0
Bond Count26
Aromatic Bond Count6
2D diagram of U3W

Chemical Component Summary

Name2-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
FormulaC10 H10 N2 O2 S
Molecular Weight222.264
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CN1SC(=O)N(Cc2ccccc2)C1=O
SMILESOpenEye OEToolkits2.0.7CN1C(=O)N(C(=O)S1)Cc2ccccc2
Canonical SMILESCACTVS3.385 CN1SC(=O)N(Cc2ccccc2)C1=O
Canonical SMILESOpenEye OEToolkits2.0.7 CN1C(=O)N(C(=O)S1)Cc2ccccc2
InChIInChI1.03 InChI=1S/C10H10N2O2S/c1-11-9(13)12(10(14)15-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyInChI1.03 JDSJDASOXWCHPN-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 4124851
ChEMBL CHEMBL284861
ChEBI CHEBI:147411