2-(4-fluorophenyl)-4-[[2-(4-methylphenyl)sulfanylethylamino]methylidene]-5-propyl-pyrazol-3-one

Systemtic Name: 2-(4-fluorophenyl)-4-[[2-(4-methylphenyl)sulfanylethylamino]methylidene]-5-propyl-pyrazol-3-one Openeye Name: 2-(4-fluorophenyl)-5-propyl-4-[[2-(p-tolylsulfanyl)ethylamino]methylene]pyrazol-3-one CAS Name: 2-(4-fluorophenyl)-4-[[2-[(4-methylphenyl)thio]ethylamino]methylidene]-5-propyl-3-pyrazolone IUPAC Name: 2-(4-fluorophenyl)-4-[[2-(4-methylphenyl)sulfanylethylamino]methylidene]-5-propylpyrazol-3-one Traditional Name: 2-(4-fluorophenyl)-5-propyl-4-[[2-(p-tolylthio)ethylamino]methylene]-2-pyrazolin-3-one Formula: C22H24FN3OS MolecularWeight: 397.508863

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CNCCSC2=CC=C(C=C2)C)C3=CC=C(C=C3)F

Isomeric SMILES

CCCC1=NN(C(=O)C1=CNCCSC2=CC=C(C=C2)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H24FN3OS/c1-3-4-21-20(15-24-13-14-28-19-11-5-16(2)6-12-19)22(27)26(25-21)18-9-7-17(23)8-10-18/h5-12,15,24H,3-4,13-14H2,1-2H3