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

Systemtic Name: (4E)-5-methyl-4-[(5-phenylfuran-2-yl)methylidene]-2-(phenylsulfonyl)pyrazol-3-one Openeye Name: (4E)-2-(benzenesulfonyl)-5-methyl-4-[(5-phenyl-2-furyl)methylene]pyrazol-3-one CAS Name: (4E)-2-(benzenesulfonyl)-5-methyl-4-[(5-phenyl-2-furanyl)methylidene]-3-pyrazolone IUPAC Name: (4E)-2-(benzenesulfonyl)-5-methyl-4-[(5-phenylfuran-2-yl)methylidene]pyrazol-3-one Traditional Name: (4E)-2-besyl-5-methyl-4-[(5-phenyl-2-furyl)methylene]-2-pyrazolin-3-one Formula: C21H16N2O4S MolecularWeight: 392.42774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N2O4S/c1-15-19(14-17-12-13-20(27-17)16-8-4-2-5-9-16)21(24)23(22-15)28(25,26)18-10-6-3-7-11-18/h2-14H,1H3/b19-14+