4-[[3-(2-methylpropyl)-1-(4-nitrophenyl)pyrazol-4-yl]diazenyl]benzenesulfonamide

Systemtic Name: 4-[[3-(2-methylpropyl)-1-(4-nitrophenyl)pyrazol-4-yl]diazenyl]benzenesulfonamide Openeye Name: 4-[3-isobutyl-1-(4-nitrophenyl)pyrazol-4-yl]azobenzenesulfonamide CAS Name: 4-[[3-(2-methylpropyl)-1-(4-nitrophenyl)-4-pyrazolyl]azo]benzenesulfonamide IUPAC Name: 4-[[3-(2-methylpropyl)-1-(4-nitrophenyl)pyrazol-4-yl]diazenyl]benzenesulfonamide Traditional Name: 4-[3-isobutyl-1-(4-nitrophenyl)pyrazol-4-yl]azobenzenesulfonamide Formula: C19H20N6O4S MolecularWeight: 428.4649

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN(C=C1N=NC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=NN(C=C1N=NC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O4S/c1-13(2)11-18-19(22-21-14-3-9-17(10-4-14)30(20,28)29)12-24(23-18)15-5-7-16(8-6-15)25(26)27/h3-10,12-13H,11H2,1-2H3,(H2,20,28,29)