4-[5-cyano-4-(4-methylphenyl)-1-phenethyl-pyrazol-3-yl]benzenesulfonamide

Systemtic Name: 4-[5-cyano-4-(4-methylphenyl)-1-phenethyl-pyrazol-3-yl]benzenesulfonamide Openeye Name: 4-[5-cyano-1-phenethyl-4-(p-tolyl)pyrazol-3-yl]benzenesulfonamide CAS Name: 4-[5-cyano-4-(4-methylphenyl)-1-phenethyl-3-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[5-cyano-4-(4-methylphenyl)-1-phenethylpyrazol-3-yl]benzenesulfonamide Traditional Name: 4-[5-cyano-1-phenethyl-4-(p-tolyl)pyrazol-3-yl]benzenesulfonamide Formula: C25H22N4O2S MolecularWeight: 442.53278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)N)CCC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)N)CCC4=CC=CC=C4)C#N

InChI

InChI=1S/C25H22N4O2S/c1-18-7-9-20(10-8-18)24-23(17-26)29(16-15-19-5-3-2-4-6-19)28-25(24)21-11-13-22(14-12-21)32(27,30)31/h2-14H,15-16H2,1H3,(H2,27,30,31)