4-[[3-isocyano-1-(2-methylphenyl)-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]-2,5-dimethyl-benzenesulfonamide

Systemtic Name: 4-[[3-isocyano-1-(2-methylphenyl)-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]-2,5-dimethyl-benzenesulfonamide Openeye Name: 4-[[3-isocyano-1-(o-tolyl)-5-oxo-4H-pyrazol-4-yl]azo]-2,5-dimethyl-benzenesulfonamide CAS Name: 4-[[3-isocyano-1-(2-methylphenyl)-5-oxo-4H-pyrazol-4-yl]azo]-2,5-dimethylbenzenesulfonamide IUPAC Name: 4-[[3-isocyano-1-(2-methylphenyl)-5-oxo-4H-pyrazol-4-yl]diazenyl]-2,5-dimethylbenzenesulfonamide Traditional Name: 4-[[3-isocyano-5-keto-1-(o-tolyl)-2-pyrazolin-4-yl]azo]-2,5-dimethyl-benzenesulfonamide Formula: C19H18N6O3S MolecularWeight: 410.44962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(C(=N2)[N+]#[C-])N=NC3=C(C=C(C(=C3)C)S(=O)(=O)N)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C(C(=N2)[N+]#[C-])N=NC3=C(C=C(C(=C3)C)S(=O)(=O)N)C

InChI

InChI=1S/C19H18N6O3S/c1-11-7-5-6-8-15(11)25-19(26)17(18(21-4)24-25)23-22-14-9-13(3)16(10-12(14)2)29(20,27)28/h5-10,17H,1-3H3,(H2,20,27,28)