0FS

(5Z)-5-[3-(trifluoromethyl)benzylidene]-1,3-thiazolidine-2,4-dione

Created:2012-01-04
Last modified:  2012-01-04

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Chemical Details

Formal Charge0
Atom Count24
Chiral Atom Count0
Bond Count25
Aromatic Bond Count6
2D diagram of 0FS

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Chemical Component Summary

Name(5Z)-5-[3-(trifluoromethyl)benzylidene]-1,3-thiazolidine-2,4-dione
Systematic Name (OpenEye OEToolkits)(5Z)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
FormulaC11 H6 F3 N O2 S
Molecular Weight273.231
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1C(\SC(=O)N1)=C\c2cccc(c2)C(F)(F)F
SMILESCACTVS3.370FC(F)(F)c1cccc(C=C2SC(=O)NC2=O)c1
SMILESOpenEye OEToolkits1.7.6c1cc(cc(c1)C(F)(F)F)C=C2C(=O)NC(=O)S2
Canonical SMILESCACTVS3.370 FC(F)(F)c1cccc(\C=C\2SC(=O)NC\2=O)c1
Canonical SMILESOpenEye OEToolkits1.7.6 c1cc(cc(c1)C(F)(F)F)/C=C\2/C(=O)NC(=O)S2
InChIInChI1.03 InChI=1S/C11H6F3NO2S/c12-11(13,14)7-3-1-2-6(4-7)5-8-9(16)15-10(17)18-8/h1-5H,(H,15,16,17)/b8-5-
InChIKeyInChI1.03 NGJLOFCOEOHFKQ-YVMONPNESA-N

Related Resource References

Resource NameReference
Pharos CHEMBL183906
PubChem 1361334
ChEMBL CHEMBL183906
CCDC/CSD EFITAO