methane; 2-(phenylsulfonyl)ethanenitrile

Systemtic Name: methane; 2-(phenylsulfonyl)ethanenitrile Openeye Name: 2-(benzenesulfonyl)acetonitrile; methane CAS Name: 2-(benzenesulfonyl)acetonitrile; methane IUPAC Name: 2-(benzenesulfonyl)acetonitrile; methane Traditional Name: 2-besylacetonitrile; methane Formula: C9H11NO2S MolecularWeight: 197.25414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7NO2S.CH4/c9-6-7-12(10,11)8-4-2-1-3-5-8;/h1-5H,7H2;1H4