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

Systemtic Name: 4-[[2-(4-chlorophenyl)sulfanylethylamino]methylidene]-2-(4-fluorophenyl)-5-propyl-pyrazol-3-one Openeye Name: 4-[[2-(4-chlorophenyl)sulfanylethylamino]methylene]-2-(4-fluorophenyl)-5-propyl-pyrazol-3-one CAS Name: 4-[[2-[(4-chlorophenyl)thio]ethylamino]methylidene]-2-(4-fluorophenyl)-5-propyl-3-pyrazolone IUPAC Name: 4-[[2-(4-chlorophenyl)sulfanylethylamino]methylidene]-2-(4-fluorophenyl)-5-propylpyrazol-3-one Traditional Name: 4-[[2-[(4-chlorophenyl)thio]ethylamino]methylene]-2-(4-fluorophenyl)-5-propyl-2-pyrazolin-3-one Formula: C21H21ClFN3OS MolecularWeight: 417.927343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClFN3OS/c1-2-3-20-19(14-24-12-13-28-18-10-4-15(22)5-11-18)21(27)26(25-20)17-8-6-16(23)7-9-17/h4-11,14,24H,2-3,12-13H2,1H3