(4Z)-4-[[3-(4-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-phenyl-5-(pyridin-2-ylsulfanylmethyl)pyrazol-3-one

Systemtic Name: (4Z)-4-[[3-(4-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-phenyl-5-(pyridin-2-ylsulfanylmethyl)pyrazol-3-one Openeye Name: (4Z)-4-[[3-(4-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-phenyl-5-(2-pyridylsulfanylmethyl)pyrazol-3-one CAS Name: (4Z)-4-[[3-(4-ethoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-2-phenyl-5-[(2-pyridinylthio)methyl]-3-pyrazolone IUPAC Name: (4Z)-4-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-phenyl-5-(pyridin-2-ylsulfanylmethyl)pyrazol-3-one Traditional Name: (4Z)-2-phenyl-4-[(1-phenyl-3-p-phenetyl-pyrazol-4-yl)methylene]-5-[(2-pyridylthio)methyl]-2-pyrazolin-3-one Formula: C33H27N5O2S MolecularWeight: 557.66478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=NN(C3=O)C4=CC=CC=C4)CSC5=CC=CC=N5)C6=CC=CC=C6

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=NN(C3=O)C4=CC=CC=C4)CSC5=CC=CC=N5)C6=CC=CC=C6

InChI

InChI=1S/C33H27N5O2S/c1-2-40-28-18-16-24(17-19-28)32-25(22-37(36-32)26-11-5-3-6-12-26)21-29-30(23-41-31-15-9-10-20-34-31)35-38(33(29)39)27-13-7-4-8-14-27/h3-22H,2,23H2,1H3/b29-21-