3-[(E)-2-cyano-2-(2-pyridin-4-ylethylsulfonyl)ethenyl]benzenecarbonitrile

Systemtic Name: 3-[(E)-2-cyano-2-(2-pyridin-4-ylethylsulfonyl)ethenyl]benzenecarbonitrile Openeye Name: 3-[(E)-2-cyano-2-[2-(4-pyridyl)ethylsulfonyl]vinyl]benzonitrile CAS Name: 3-[(E)-2-cyano-2-(2-pyridin-4-ylethylsulfonyl)ethenyl]benzonitrile IUPAC Name: 3-[(E)-2-cyano-2-(2-pyridin-4-ylethylsulfonyl)ethenyl]benzonitrile Traditional Name: 3-[(E)-2-cyano-2-[2-(4-pyridyl)ethylsulfonyl]vinyl]benzonitrile Formula: C17H13N3O2S MolecularWeight: 323.36902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C=C(C#N)S(=O)(=O)CCC2=CC=NC=C2)C#N

Isomeric SMILES

C1=CC(=CC(=C1)/C=C(\C#N)/S(=O)(=O)CCC2=CC=NC=C2)C#N

InChI

InChI=1S/C17H13N3O2S/c18-12-16-3-1-2-15(10-16)11-17(13-19)23(21,22)9-6-14-4-7-20-8-5-14/h1-5,7-8,10-11H,6,9H2/b17-11+