(4E)-5-methyl-4-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]-2-phenyl-pyrazol-3-one

Systemtic Name: (4E)-5-methyl-4-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]-2-phenyl-pyrazol-3-one Openeye Name: (4E)-5-methyl-2-phenyl-4-[[5-(p-tolylsulfanyl)-2-furyl]methylene]pyrazol-3-one CAS Name: (4E)-5-methyl-4-[[5-[(4-methylphenyl)thio]-2-furanyl]methylidene]-2-phenyl-3-pyrazolone IUPAC Name: (4E)-5-methyl-4-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]-2-phenylpyrazol-3-one Traditional Name: (4E)-5-methyl-2-phenyl-4-[[5-(p-tolylthio)-2-furyl]methylene]-2-pyrazolin-3-one Formula: C22H18N2O2S MolecularWeight: 374.45552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC=C(O2)/C=C/3\C(=NN(C3=O)C4=CC=CC=C4)C

InChI

InChI=1S/C22H18N2O2S/c1-15-8-11-19(12-9-15)27-21-13-10-18(26-21)14-20-16(2)23-24(22(20)25)17-6-4-3-5-7-17/h3-14H,1-2H3/b20-14+