2-[2,5-bis(fluoranyl)phenyl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[2,5-bis(fluoranyl)phenyl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(2,5-difluorophenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(2,5-difluorophenyl)thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2,5-difluorophenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(2,5-difluorophenyl)thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C16H16F2N4OS MolecularWeight: 350.386246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=C(C=CC(=C3)F)F

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=C(C=CC(=C3)F)F

InChI

InChI=1S/C16H16F2N4OS/c17-12-2-3-13(18)14(10-12)24-11-15(23)21-6-8-22(9-7-21)16-19-4-1-5-20-16/h1-5,10H,6-9,11H2