3-(2,5-dimethylphenyl)sulfonylpropanenitrile

Systemtic Name: 3-(2,5-dimethylphenyl)sulfonylpropanenitrile Openeye Name: 3-(2,5-dimethylphenyl)sulfonylpropanenitrile CAS Name: 3-(2,5-dimethylphenyl)sulfonylpropanenitrile IUPAC Name: 3-(2,5-dimethylphenyl)sulfonylpropanenitrile Traditional Name: 3-(2,5-dimethylphenyl)sulfonylpropionitrile Formula: C11H13NO2S MolecularWeight: 223.29142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO2S/c1-9-4-5-10(2)11(8-9)15(13,14)7-3-6-12/h4-5,8H,3,7H2,1-2H3