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

Systemtic Name: 3-[(E)-3-oxidanylidene-2-(2-phenoxyethylsulfonyl)but-1-enyl]benzenecarbonitrile Openeye Name: 3-[(E)-3-oxo-2-(2-phenoxyethylsulfonyl)but-1-enyl]benzonitrile CAS Name: 3-[(E)-3-oxo-2-(2-phenoxyethylsulfonyl)but-1-enyl]benzonitrile IUPAC Name: 3-[(E)-3-oxo-2-(2-phenoxyethylsulfonyl)but-1-enyl]benzonitrile Traditional Name: 3-[(E)-3-keto-2-(2-phenoxyethylsulfonyl)but-1-enyl]benzonitrile Formula: C19H17NO4S MolecularWeight: 355.40758

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=CC(=C1)C#N)S(=O)(=O)CCOC2=CC=CC=C2

Isomeric SMILES

CC(=O)/C(=C\C1=CC=CC(=C1)C#N)/S(=O)(=O)CCOC2=CC=CC=C2

InChI

InChI=1S/C19H17NO4S/c1-15(21)19(13-16-6-5-7-17(12-16)14-20)25(22,23)11-10-24-18-8-3-2-4-9-18/h2-9,12-13H,10-11H2,1H3/b19-13+