2-[(4-chlorophenyl)methylsulfonyl]ethanenitrile

Systemtic Name: 2-[(4-chlorophenyl)methylsulfonyl]ethanenitrile Openeye Name: 2-[(4-chlorophenyl)methylsulfonyl]acetonitrile CAS Name: 2-[(4-chlorophenyl)methylsulfonyl]acetonitrile IUPAC Name: 2-[(4-chlorophenyl)methylsulfonyl]acetonitrile Traditional Name: 2-(4-chlorobenzyl)sulfonylacetonitrile Formula: C9H8ClNO2S MolecularWeight: 229.68332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CS(=O)(=O)CC#N)Cl

Isomeric SMILES

C1=CC(=CC=C1CS(=O)(=O)CC#N)Cl

InChI

InChI=1S/C9H8ClNO2S/c10-9-3-1-8(2-4-9)7-14(12,13)6-5-11/h1-4H,6-7H2