2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]cyclopent-2-en-1-one

Systemtic Name: 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]cyclopent-2-en-1-one Openeye Name: 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]cyclopent-2-en-1-one CAS Name: 2-[[3-(trifluoromethyl)phenyl]methylthio]-1-cyclopent-2-enone IUPAC Name: 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]cyclopent-2-en-1-one Traditional Name: 2-[[3-(trifluoromethyl)benzyl]thio]cyclopent-2-en-1-one Formula: C13H11F3OS MolecularWeight: 272.28605

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(=C1)SCC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

C1CC(=O)C(=C1)SCC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C13H11F3OS/c14-13(15,16)10-4-1-3-9(7-10)8-18-12-6-2-5-11(12)17/h1,3-4,6-7H,2,5,8H2