4-[2-[3,4-bis(fluoranyl)phenyl]sulfanylethanoyl]piperazin-2-one

Systemtic Name: 4-[2-[3,4-bis(fluoranyl)phenyl]sulfanylethanoyl]piperazin-2-one Openeye Name: 4-[2-(3,4-difluorophenyl)sulfanylacetyl]piperazin-2-one CAS Name: 4-[2-[(3,4-difluorophenyl)thio]-1-oxoethyl]-2-piperazinone IUPAC Name: 4-[2-(3,4-difluorophenyl)sulfanylacetyl]piperazin-2-one Traditional Name: 4-[2-[(3,4-difluorophenyl)thio]acetyl]piperazin-2-one Formula: C12H12F2N2O2S MolecularWeight: 286.297686

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C(=O)CSC2=CC(=C(C=C2)F)F

Isomeric SMILES

C1CN(CC(=O)N1)C(=O)CSC2=CC(=C(C=C2)F)F

InChI

InChI=1S/C12H12F2N2O2S/c13-9-2-1-8(5-10(9)14)19-7-12(18)16-4-3-15-11(17)6-16/h1-2,5H,3-4,6-7H2,(H,15,17)