4-methylsulfonyl-5-oxidanylidene-5-phenyl-pentanenitrile

Systemtic Name: 4-methylsulfonyl-5-oxidanylidene-5-phenyl-pentanenitrile Openeye Name: 4-methylsulfonyl-5-oxo-5-phenyl-pentanenitrile CAS Name: 4-methylsulfonyl-5-oxo-5-phenylpentanenitrile IUPAC Name: 4-methylsulfonyl-5-oxo-5-phenylpentanenitrile Traditional Name: 5-keto-4-mesyl-5-phenyl-valeronitrile Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C(CCC#N)C(=O)C1=CC=CC=C1

Isomeric SMILES

CS(=O)(=O)C(CCC#N)C(=O)C1=CC=CC=C1

InChI

InChI=1S/C12H13NO3S/c1-17(15,16)11(8-5-9-13)12(14)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8H2,1H3