2-[(E)-2-methylsulfonyl-3-oxidanylidene-but-1-enyl]benzenecarbonitrile

Systemtic Name: 2-[(E)-2-methylsulfonyl-3-oxidanylidene-but-1-enyl]benzenecarbonitrile Openeye Name: 2-[(E)-2-methylsulfonyl-3-oxo-but-1-enyl]benzonitrile CAS Name: 2-[(E)-2-methylsulfonyl-3-oxobut-1-enyl]benzonitrile IUPAC Name: 2-[(E)-2-methylsulfonyl-3-oxobut-1-enyl]benzonitrile Traditional Name: 2-[(E)-3-keto-2-mesyl-but-1-enyl]benzonitrile Formula: C12H11NO3S MolecularWeight: 249.28564

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=CC=C1C#N)S(=O)(=O)C

Isomeric SMILES

CC(=O)/C(=C\C1=CC=CC=C1C#N)/S(=O)(=O)C

InChI

InChI=1S/C12H11NO3S/c1-9(14)12(17(2,15)16)7-10-5-3-4-6-11(10)8-13/h3-7H,1-2H3/b12-7+