(4Z)-4-[[3-(4-ethylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: (4Z)-4-[[3-(4-ethylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4Z)-4-[[3-(4-ethylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4Z)-4-[[3-[4-(ethylthio)phenyl]-1-phenyl-4-pyrazolyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4Z)-4-[[3-(4-ethylsulfanylphenyl)-1-phenylpyrazol-4-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4Z)-4-[[3-[4-(ethylthio)phenyl]-1-phenyl-pyrazol-4-yl]methylene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C28H24N4OS MolecularWeight: 464.58136

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=NN(C3=O)C4=CC=CC=C4)C)C5=CC=CC=C5

Isomeric SMILES

CCSC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=NN(C3=O)C4=CC=CC=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C28H24N4OS/c1-3-34-25-16-14-21(15-17-25)27-22(19-31(30-27)23-10-6-4-7-11-23)18-26-20(2)29-32(28(26)33)24-12-8-5-9-13-24/h4-19H,3H2,1-2H3/b26-18-