4-oxidanylidene-4-phenyl-3-(phenylsulfonyl)butanenitrile

Systemtic Name: 4-oxidanylidene-4-phenyl-3-(phenylsulfonyl)butanenitrile Openeye Name: 3-(benzenesulfonyl)-4-oxo-4-phenyl-butanenitrile CAS Name: 3-(benzenesulfonyl)-4-oxo-4-phenylbutanenitrile IUPAC Name: 3-(benzenesulfonyl)-4-oxo-4-phenylbutanenitrile Traditional Name: 3-besyl-4-keto-4-phenyl-butyronitrile Formula: C16H13NO3S MolecularWeight: 299.34432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(CC#N)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(CC#N)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H13NO3S/c17-12-11-15(16(18)13-7-3-1-4-8-13)21(19,20)14-9-5-2-6-10-14/h1-10,15H,11H2