(4E)-5-[(4-methylphenyl)sulfanylmethyl]-2-phenyl-4-[(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)methylidene]pyrazol-3-one

Systemtic Name: (4E)-5-[(4-methylphenyl)sulfanylmethyl]-2-phenyl-4-[(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)methylidene]pyrazol-3-one Openeye Name: (4E)-2-phenyl-4-[[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]methylene]-5-(p-tolylsulfanylmethyl)pyrazol-3-one CAS Name: (4E)-5-[[(4-methylphenyl)thio]methyl]-2-phenyl-4-[(1-phenyl-3-pyridin-4-yl-4-pyrazolyl)methylidene]-3-pyrazolone IUPAC Name: (4E)-5-[(4-methylphenyl)sulfanylmethyl]-2-phenyl-4-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidene]pyrazol-3-one Traditional Name: (4E)-2-phenyl-4-[[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]methylene]-5-[(p-tolylthio)methyl]-2-pyrazolin-3-one Formula: C32H25N5OS MolecularWeight: 527.6388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=NN(C(=O)C2=CC3=CN(N=C3C4=CC=NC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)SCC\2=NN(C(=O)/C2=C/C3=CN(N=C3C4=CC=NC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C32H25N5OS/c1-23-12-14-28(15-13-23)39-22-30-29(32(38)37(34-30)27-10-6-3-7-11-27)20-25-21-36(26-8-4-2-5-9-26)35-31(25)24-16-18-33-19-17-24/h2-21H,22H2,1H3/b29-20+