3-[4-[(4-bromophenyl)methoxy]phenyl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: 3-[4-[(4-bromophenyl)methoxy]phenyl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: 3-[4-[(4-bromophenyl)methoxy]phenyl]-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 3-[4-[(4-bromophenyl)methoxy]phenyl]-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: 3-[4-[(4-bromophenyl)methoxy]phenyl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: 3-[4-(4-bromobenzyl)oxyphenyl]-2-tosyl-acrylonitrile Formula: C23H18BrNO3S MolecularWeight: 468.36292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)Br)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)Br)C#N

InChI

InChI=1S/C23H18BrNO3S/c1-17-2-12-22(13-3-17)29(26,27)23(15-25)14-18-6-10-21(11-7-18)28-16-19-4-8-20(24)9-5-19/h2-14H,16H2,1H3