5-(4-bromophenyl)-2-(4-methylphenyl)sulfonyl-3-(3-nitrophenyl)-3,4-dihydropyrazole

Systemtic Name: 5-(4-bromophenyl)-2-(4-methylphenyl)sulfonyl-3-(3-nitrophenyl)-3,4-dihydropyrazole Openeye Name: 5-(4-bromophenyl)-3-(3-nitrophenyl)-2-(p-tolylsulfonyl)-3,4-dihydropyrazole CAS Name: 5-(4-bromophenyl)-2-(4-methylphenyl)sulfonyl-3-(3-nitrophenyl)-3,4-dihydropyrazole IUPAC Name: 5-(4-bromophenyl)-2-(4-methylphenyl)sulfonyl-3-(3-nitrophenyl)-3,4-dihydropyrazole Traditional Name: 3-(4-bromophenyl)-5-(3-nitrophenyl)-1-tosyl-2-pyrazoline Formula: C22H18BrN3O4S MolecularWeight: 500.36502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(CC(=N2)C3=CC=C(C=C3)Br)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(CC(=N2)C3=CC=C(C=C3)Br)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18BrN3O4S/c1-15-5-11-20(12-6-15)31(29,30)25-22(17-3-2-4-19(13-17)26(27)28)14-21(24-25)16-7-9-18(23)10-8-16/h2-13,22H,14H2,1H3