(2E)-2-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile

Systemtic Name: (2E)-2-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-[[2-(3-bromophenyl)thiazol-4-yl]methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2E)-2-[[2-(3-bromophenyl)-4-thiazolyl]methylidene]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: (2E)-2-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: (E)-3-[2-(3-bromophenyl)thiazol-4-yl]-2-pivaloyl-acrylonitrile Formula: C17H15BrN2OS MolecularWeight: 375.2828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CC1=CSC(=N1)C2=CC(=CC=C2)Br)C#N

Isomeric SMILES

CC(C)(C)C(=O)/C(=C/C1=CSC(=N1)C2=CC(=CC=C2)Br)/C#N

InChI

InChI=1S/C17H15BrN2OS/c1-17(2,3)15(21)12(9-19)8-14-10-22-16(20-14)11-5-4-6-13(18)7-11/h4-8,10H,1-3H3/b12-8+