N,N-dibutyl-4-[[3-isocyanato-1-(4-methylphenyl)-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzenesulfonamide

Systemtic Name: N,N-dibutyl-4-[[3-isocyanato-1-(4-methylphenyl)-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzenesulfonamide Openeye Name: N,N-dibutyl-4-[[3-isocyanato-5-oxo-1-(p-tolyl)-4H-pyrazol-4-yl]azo]benzenesulfonamide CAS Name: N,N-dibutyl-4-[[3-isocyanato-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]azo]benzenesulfonamide IUPAC Name: N,N-dibutyl-4-[[3-isocyanato-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]diazenyl]benzenesulfonamide Traditional Name: N,N-dibutyl-4-[[3-isocyanato-5-keto-1-(p-tolyl)-2-pyrazolin-4-yl]azo]benzenesulfonamide Formula: C25H30N6O4S MolecularWeight: 510.6085

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)S(=O)(=O)C1=CC=C(C=C1)N=NC2C(=NN(C2=O)C3=CC=C(C=C3)C)N=C=O

Isomeric SMILES

CCCCN(CCCC)S(=O)(=O)C1=CC=C(C=C1)N=NC2C(=NN(C2=O)C3=CC=C(C=C3)C)N=C=O

InChI

InChI=1S/C25H30N6O4S/c1-4-6-16-30(17-7-5-2)36(34,35)22-14-10-20(11-15-22)27-28-23-24(26-18-32)29-31(25(23)33)21-12-8-19(3)9-13-21/h8-15,23H,4-7,16-17H2,1-3H3