4-[(4-methylsulfanylphenyl)methylidene]-2-phenyl-5-propyl-pyrazol-3-one

Systemtic Name: 4-[(4-methylsulfanylphenyl)methylidene]-2-phenyl-5-propyl-pyrazol-3-one Openeye Name: 4-[(4-methylsulfanylphenyl)methylene]-2-phenyl-5-propyl-pyrazol-3-one CAS Name: 4-[[4-(methylthio)phenyl]methylidene]-2-phenyl-5-propyl-3-pyrazolone IUPAC Name: 4-[(4-methylsulfanylphenyl)methylidene]-2-phenyl-5-propylpyrazol-3-one Traditional Name: 4-[4-(methylthio)benzylidene]-2-phenyl-5-propyl-2-pyrazolin-3-one Formula: C20H20N2OS MolecularWeight: 336.4506

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CC2=CC=C(C=C2)SC)C3=CC=CC=C3

Isomeric SMILES

CCCC1=NN(C(=O)C1=CC2=CC=C(C=C2)SC)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2OS/c1-3-7-19-18(14-15-10-12-17(24-2)13-11-15)20(23)22(21-19)16-8-5-4-6-9-16/h4-6,8-14H,3,7H2,1-2H3