1-[3-fluoranyl-4-[4-(2-methylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[3-fluoranyl-4-[4-(2-methylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[3-fluoro-4-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[3-fluoro-4-[4-[[2-(methylthio)-3-pyridinyl]-oxomethyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[3-fluoro-4-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[3-fluoro-4-[4-[2-(methylthio)nicotinoyl]piperazino]phenyl]ethanone Formula: C19H20FN3O2S MolecularWeight: 373.444403

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(N=CC=C3)SC)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(N=CC=C3)SC)F

InChI

InChI=1S/C19H20FN3O2S/c1-13(24)14-5-6-17(16(20)12-14)22-8-10-23(11-9-22)19(25)15-4-3-7-21-18(15)26-2/h3-7,12H,8-11H2,1-2H3