2-(4-methylphenyl)sulfonylethanenitrile

Systemtic Name: 2-(4-methylphenyl)sulfonylethanenitrile Openeye Name: 2-(p-tolylsulfonyl)acetonitrile CAS Name: 2-(4-methylphenyl)sulfonylacetonitrile IUPAC Name: 2-(4-methylphenyl)sulfonylacetonitrile Traditional Name: 2-tosylacetonitrile Formula: C9H9NO2S MolecularWeight: 195.23826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO2S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2-5H,7H2,1H3