(4E)-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-[(4-methylphenyl)sulfanylmethyl]-2-phenyl-pyrazol-3-one

Systemtic Name: (4E)-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-[(4-methylphenyl)sulfanylmethyl]-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[(2-methyl-2,3-dihydrobenzofuran-5-yl)methylene]-2-phenyl-5-(p-tolylsulfanylmethyl)pyrazol-3-one CAS Name: (4E)-4-[(2-methyl-2,3-dihydrobenzofuran-5-yl)methylidene]-5-[[(4-methylphenyl)thio]methyl]-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-[(4-methylphenyl)sulfanylmethyl]-2-phenylpyrazol-3-one Traditional Name: (4E)-4-[(2-methylcoumaran-5-yl)methylene]-2-phenyl-5-[(p-tolylthio)methyl]-2-pyrazolin-3-one Formula: C27H24N2O2S MolecularWeight: 440.55666

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C=CC(=C2)C=C3C(=NN(C3=O)C4=CC=CC=C4)CSC5=CC=C(C=C5)C

Isomeric SMILES

CC1CC2=C(O1)C=CC(=C2)/C=C/3\C(=NN(C3=O)C4=CC=CC=C4)CSC5=CC=C(C=C5)C

InChI

InChI=1S/C27H24N2O2S/c1-18-8-11-23(12-9-18)32-17-25-24(27(30)29(28-25)22-6-4-3-5-7-22)16-20-10-13-26-21(15-20)14-19(2)31-26/h3-13,15-16,19H,14,17H2,1-2H3/b24-16+