2-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-(p-tolylsulfonylmethyl)phenyl]benzonitrile CAS Name: 2-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-(tosylmethyl)phenyl]benzonitrile Formula: C21H17NO2S MolecularWeight: 347.43018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C21H17NO2S/c1-16-6-12-20(13-7-16)25(23,24)15-17-8-10-18(11-9-17)21-5-3-2-4-19(21)14-22/h2-13H,15H2,1H3