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

Systemtic Name: (4E)-4-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[[5-(4-chlorophenyl)sulfanyl-2-furyl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4E)-4-[[5-[(4-chlorophenyl)thio]-2-furanyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4E)-4-[[5-[(4-chlorophenyl)thio]-2-furyl]methylene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C21H15ClN2O2S MolecularWeight: 394.874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(O2)SC3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC=C(O2)SC3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H15ClN2O2S/c1-14-19(21(25)24(23-14)16-5-3-2-4-6-16)13-17-9-12-20(26-17)27-18-10-7-15(22)8-11-18/h2-13H,1H3/b19-13+