3-[[4-[(2-fluorophenyl)sulfanylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one

Systemtic Name: 3-[[4-[(2-fluorophenyl)sulfanylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one Openeye Name: 3-[[4-[(2-fluorophenyl)sulfanylmethyl]-1-piperidyl]methyl]-1H-pyrazin-2-one CAS Name: 3-[[4-[[(2-fluorophenyl)thio]methyl]-1-piperidinyl]methyl]-1H-pyrazin-2-one IUPAC Name: 3-[[4-[(2-fluorophenyl)sulfanylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one Traditional Name: 3-[[4-[[(2-fluorophenyl)thio]methyl]piperidino]methyl]-1H-pyrazin-2-one Formula: C17H20FN3OS MolecularWeight: 333.423603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CSC2=CC=CC=C2F)CC3=NC=CNC3=O

Isomeric SMILES

C1CN(CCC1CSC2=CC=CC=C2F)CC3=NC=CNC3=O

InChI

InChI=1S/C17H20FN3OS/c18-14-3-1-2-4-16(14)23-12-13-5-9-21(10-6-13)11-15-17(22)20-8-7-19-15/h1-4,7-8,13H,5-6,9-12H2,(H,20,22)