4-(4-bromanyl-2-tert-butyl-phenoxy)-3-oxidanylidene-2-(4-phenyl-1,3-thiazol-2-yl)butanenitrile

Systemtic Name: 4-(4-bromanyl-2-tert-butyl-phenoxy)-3-oxidanylidene-2-(4-phenyl-1,3-thiazol-2-yl)butanenitrile Openeye Name: 4-(4-bromo-2-tert-butyl-phenoxy)-3-oxo-2-(4-phenylthiazol-2-yl)butanenitrile CAS Name: 4-(4-bromo-2-tert-butylphenoxy)-3-oxo-2-(4-phenyl-2-thiazolyl)butanenitrile IUPAC Name: 4-(4-bromo-2-tert-butylphenoxy)-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)butanenitrile Traditional Name: 4-(4-bromo-2-tert-butyl-phenoxy)-3-keto-2-(4-phenylthiazol-2-yl)butyronitrile Formula: C23H21BrN2O2S MolecularWeight: 469.39404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)Br)OCC(=O)C(C#N)C2=NC(=CS2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)Br)OCC(=O)C(C#N)C2=NC(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C23H21BrN2O2S/c1-23(2,3)18-11-16(24)9-10-21(18)28-13-20(27)17(12-25)22-26-19(14-29-22)15-7-5-4-6-8-15/h4-11,14,17H,13H2,1-3H3