1-[3-fluoranyl-4-[4-[(2-sulfanylidene-1H-pyridin-3-yl)carbonyl]piperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[3-fluoranyl-4-[4-[(2-sulfanylidene-1H-pyridin-3-yl)carbonyl]piperazin-1-yl]phenyl]ethanone Openeye Name: 1-[3-fluoro-4-[4-(2-thioxo-1H-pyridine-3-carbonyl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[3-fluoro-4-[4-[oxo-(2-sulfanylidene-1H-pyridin-3-yl)methyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[3-fluoro-4-[4-(2-sulfanylidene-1H-pyridine-3-carbonyl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[3-fluoro-4-[4-(2-thioxo-1H-pyridine-3-carbonyl)piperazino]phenyl]ethanone Formula: C18H18FN3O2S MolecularWeight: 359.417823

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CNC3=S)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CNC3=S)F

InChI

InChI=1S/C18H18FN3O2S/c1-12(23)13-4-5-16(15(19)11-13)21-7-9-22(10-8-21)18(24)14-3-2-6-20-17(14)25/h2-6,11H,7-10H2,1H3,(H,20,25)