(4E)-4-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-methyl-2-(phenylsulfonyl)pyrazol-3-one

Systemtic Name: (4E)-4-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-methyl-2-(phenylsulfonyl)pyrazol-3-one Openeye Name: (4E)-2-(benzenesulfonyl)-4-[[5-(4-bromophenyl)-2-furyl]methylene]-5-methyl-pyrazol-3-one CAS Name: (4E)-2-(benzenesulfonyl)-4-[[5-(4-bromophenyl)-2-furanyl]methylidene]-5-methyl-3-pyrazolone IUPAC Name: (4E)-2-(benzenesulfonyl)-4-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-methylpyrazol-3-one Traditional Name: (4E)-2-besyl-4-[[5-(4-bromophenyl)-2-furyl]methylene]-5-methyl-2-pyrazolin-3-one Formula: C21H15BrN2O4S MolecularWeight: 471.3238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC=C(C=C3)Br)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC=C(O2)C3=CC=C(C=C3)Br)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H15BrN2O4S/c1-14-19(13-17-11-12-20(28-17)15-7-9-16(22)10-8-15)21(25)24(23-14)29(26,27)18-5-3-2-4-6-18/h2-13H,1H3/b19-13+