2-(2,5-dimethylphenyl)-2-(phenylsulfonyl)ethanenitrile

Systemtic Name: 2-(2,5-dimethylphenyl)-2-(phenylsulfonyl)ethanenitrile Openeye Name: 2-(benzenesulfonyl)-2-(2,5-dimethylphenyl)acetonitrile CAS Name: 2-(benzenesulfonyl)-2-(2,5-dimethylphenyl)acetonitrile IUPAC Name: 2-(benzenesulfonyl)-2-(2,5-dimethylphenyl)acetonitrile Traditional Name: 2-besyl-2-(2,5-dimethylphenyl)acetonitrile Formula: C16H15NO2S MolecularWeight: 285.3608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO2S/c1-12-8-9-13(2)15(10-12)16(11-17)20(18,19)14-6-4-3-5-7-14/h3-10,16H,1-2H3