(2E)-2-[(4-bromanylthiophen-2-yl)methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile

Systemtic Name: (2E)-2-[(4-bromanylthiophen-2-yl)methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-[(4-bromo-2-thienyl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2E)-2-[(4-bromo-2-thiophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: (2E)-2-[(4-bromothiophen-2-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: (E)-3-(4-bromo-2-thienyl)-2-pivaloyl-acrylonitrile Formula: C12H12BrNOS MolecularWeight: 298.19878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CC1=CC(=CS1)Br)C#N

Isomeric SMILES

CC(C)(C)C(=O)/C(=C/C1=CC(=CS1)Br)/C#N

InChI

InChI=1S/C12H12BrNOS/c1-12(2,3)11(15)8(6-14)4-10-5-9(13)7-16-10/h4-5,7H,1-3H3/b8-4+