4-[5-(4-bromophenyl)-2-(phenylsulfonyl)-3,4-dihydropyrazol-3-yl]-3-(4-methylphenyl)-1-phenyl-pyrazole

Systemtic Name: 4-[5-(4-bromophenyl)-2-(phenylsulfonyl)-3,4-dihydropyrazol-3-yl]-3-(4-methylphenyl)-1-phenyl-pyrazole Openeye Name: 4-[2-(benzenesulfonyl)-5-(4-bromophenyl)-3,4-dihydropyrazol-3-yl]-1-phenyl-3-(p-tolyl)pyrazole CAS Name: 4-[2-(benzenesulfonyl)-5-(4-bromophenyl)-3,4-dihydropyrazol-3-yl]-3-(4-methylphenyl)-1-phenylpyrazole IUPAC Name: 4-[2-(benzenesulfonyl)-5-(4-bromophenyl)-3,4-dihydropyrazol-3-yl]-3-(4-methylphenyl)-1-phenylpyrazole Traditional Name: 4-[2-besyl-5-(4-bromophenyl)-2-pyrazolin-3-yl]-1-phenyl-3-(p-tolyl)pyrazole Formula: C31H25BrN4O2S MolecularWeight: 597.5248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C3CC(=NN3S(=O)(=O)C4=CC=CC=C4)C5=CC=C(C=C5)Br)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C3CC(=NN3S(=O)(=O)C4=CC=CC=C4)C5=CC=C(C=C5)Br)C6=CC=CC=C6

InChI

InChI=1S/C31H25BrN4O2S/c1-22-12-14-24(15-13-22)31-28(21-35(34-31)26-8-4-2-5-9-26)30-20-29(23-16-18-25(32)19-17-23)33-36(30)39(37,38)27-10-6-3-7-11-27/h2-19,21,30H,20H2,1H3