4-[(3,5-dimethyl-1-pyridin-4-ylcarbonyl-pyrazol-4-yl)diazenyl]benzenesulfonamide

Systemtic Name: 4-[(3,5-dimethyl-1-pyridin-4-ylcarbonyl-pyrazol-4-yl)diazenyl]benzenesulfonamide Openeye Name: 4-[3,5-dimethyl-1-(pyridine-4-carbonyl)pyrazol-4-yl]azobenzenesulfonamide CAS Name: 4-[[3,5-dimethyl-1-[oxo(pyridin-4-yl)methyl]-4-pyrazolyl]azo]benzenesulfonamide IUPAC Name: 4-[[3,5-dimethyl-1-(pyridine-4-carbonyl)pyrazol-4-yl]diazenyl]benzenesulfonamide Traditional Name: 4-(1-isonicotinoyl-3,5-dimethyl-pyrazol-4-yl)azobenzenesulfonamide Formula: C17H16N6O3S MolecularWeight: 384.41234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC=NC=C2)C)N=NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC=NC=C2)C)N=NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C17H16N6O3S/c1-11-16(21-20-14-3-5-15(6-4-14)27(18,25)26)12(2)23(22-11)17(24)13-7-9-19-10-8-13/h3-10H,1-2H3,(H2,18,25,26)