2-(4-methylsulfonylphenyl)propanenitrile

Systemtic Name: 2-(4-methylsulfonylphenyl)propanenitrile Openeye Name: 2-(4-methylsulfonylphenyl)propanenitrile CAS Name: 2-(4-methylsulfonylphenyl)propanenitrile IUPAC Name: 2-(4-methylsulfonylphenyl)propanenitrile Traditional Name: 2-(4-mesylphenyl)propionitrile Formula: C10H11NO2S MolecularWeight: 209.26484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO2S/c1-8(7-11)9-3-5-10(6-4-9)14(2,12)13/h3-6,8H,1-2H3