4-[(2,5-dimethylphenyl)methylsulfonylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(2,5-dimethylphenyl)methylsulfonylmethyl]benzenecarbonitrile Openeye Name: 4-[(2,5-dimethylphenyl)methylsulfonylmethyl]benzonitrile CAS Name: 4-[(2,5-dimethylphenyl)methylsulfonylmethyl]benzonitrile IUPAC Name: 4-[(2,5-dimethylphenyl)methylsulfonylmethyl]benzonitrile Traditional Name: 4-[(2,5-dimethylbenzyl)sulfonylmethyl]benzonitrile Formula: C17H17NO2S MolecularWeight: 299.38738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CS(=O)(=O)CC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)CS(=O)(=O)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H17NO2S/c1-13-3-4-14(2)17(9-13)12-21(19,20)11-16-7-5-15(10-18)6-8-16/h3-9H,11-12H2,1-2H3