3-(3-bromophenyl)-5-(4-methylphenyl)-5-oxidanylidene-2-(phenylsulfonyl)pentanenitrile

Systemtic Name: 3-(3-bromophenyl)-5-(4-methylphenyl)-5-oxidanylidene-2-(phenylsulfonyl)pentanenitrile Openeye Name: 2-(benzenesulfonyl)-3-(3-bromophenyl)-5-oxo-5-(p-tolyl)pentanenitrile CAS Name: 2-(benzenesulfonyl)-3-(3-bromophenyl)-5-(4-methylphenyl)-5-oxopentanenitrile IUPAC Name: 2-(benzenesulfonyl)-3-(3-bromophenyl)-5-(4-methylphenyl)-5-oxopentanenitrile Traditional Name: 2-besyl-3-(3-bromophenyl)-5-keto-5-(p-tolyl)valeronitrile Formula: C24H20BrNO3S MolecularWeight: 482.3895

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(C2=CC(=CC=C2)Br)C(C#N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CC(C2=CC(=CC=C2)Br)C(C#N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H20BrNO3S/c1-17-10-12-18(13-11-17)23(27)15-22(19-6-5-7-20(25)14-19)24(16-26)30(28,29)21-8-3-2-4-9-21/h2-14,22,24H,15H2,1H3