2-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-4-piperidin-1-yl-pyridazin-3-one

Systemtic Name: 2-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-4-piperidin-1-yl-pyridazin-3-one Openeye Name: 2-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-4-(1-piperidyl)pyridazin-3-one CAS Name: 2-(4-fluorophenyl)-5-[4-(methylthio)phenyl]-4-(1-piperidinyl)-3-pyridazinone IUPAC Name: 2-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-4-piperidin-1-ylpyridazin-3-one Traditional Name: 2-(4-fluorophenyl)-5-[4-(methylthio)phenyl]-4-piperidino-pyridazin-3-one Formula: C22H22FN3OS MolecularWeight: 395.492983

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=C(C(=O)N(N=C2)C3=CC=C(C=C3)F)N4CCCCC4

Isomeric SMILES

CSC1=CC=C(C=C1)C2=C(C(=O)N(N=C2)C3=CC=C(C=C3)F)N4CCCCC4

InChI

InChI=1S/C22H22FN3OS/c1-28-19-11-5-16(6-12-19)20-15-24-26(18-9-7-17(23)8-10-18)22(27)21(20)25-13-3-2-4-14-25/h5-12,15H,2-4,13-14H2,1H3