2-[(E)-3-(phenylsulfonyl)but-2-enyl]propanedinitrile

Systemtic Name: 2-[(E)-3-(phenylsulfonyl)but-2-enyl]propanedinitrile Openeye Name: 2-[(E)-3-(benzenesulfonyl)but-2-enyl]propanedinitrile CAS Name: 2-[(E)-3-(benzenesulfonyl)but-2-enyl]propanedinitrile IUPAC Name: 2-[(E)-3-(benzenesulfonyl)but-2-enyl]propanedinitrile Traditional Name: 2-[(E)-3-besylbut-2-enyl]malononitrile Formula: C13H12N2O2S MolecularWeight: 260.31158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C\CC(C#N)C#N)/S(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H12N2O2S/c1-11(7-8-12(9-14)10-15)18(16,17)13-5-3-2-4-6-13/h2-7,12H,8H2,1H3/b11-7+