4-[(4Z)-4-[(3-iodanylphenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonamide

Systemtic Name: 4-[(4Z)-4-[(3-iodanylphenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonamide Openeye Name: 4-[(4Z)-4-[(3-iodophenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfonamide CAS Name: 4-[(4Z)-4-[(3-iodophenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[(4Z)-4-[(3-iodophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonamide Traditional Name: 4-[(4Z)-4-(3-iodobenzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzenesulfonamide Formula: C17H14IN3O3S MolecularWeight: 467.28083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=CC=C2)I)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC(=CC=C2)I)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C17H14IN3O3S/c1-11-16(10-12-3-2-4-13(18)9-12)17(22)21(20-11)14-5-7-15(8-6-14)25(19,23)24/h2-10H,1H3,(H2,19,23,24)/b16-10-