4-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide

Systemtic Name: 4-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide Openeye Name: 4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide CAS Name: 4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]-N-(4-methyl-2-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide Traditional Name: 4-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)azo]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide Formula: C21H19N7O3S MolecularWeight: 449.48566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3C(=NN(C3=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3C(=NN(C3=O)C4=CC=CC=C4)C

InChI

InChI=1S/C21H19N7O3S/c1-14-12-13-22-21(23-14)27-32(30,31)18-10-8-16(9-11-18)24-25-19-15(2)26-28(20(19)29)17-6-4-3-5-7-17/h3-13,19H,1-2H3,(H,22,23,27)