2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-4-(4-phenylpiperazin-1-yl)butanenitrile

Systemtic Name: 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-4-(4-phenylpiperazin-1-yl)butanenitrile Openeye Name: 2-[4-(4-bromophenyl)thiazol-2-yl]-3-oxo-4-(4-phenylpiperazin-1-yl)butanenitrile CAS Name: 2-[4-(4-bromophenyl)-2-thiazolyl]-3-oxo-4-(4-phenyl-1-piperazinyl)butanenitrile IUPAC Name: 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-oxo-4-(4-phenylpiperazin-1-yl)butanenitrile Traditional Name: 2-[4-(4-bromophenyl)thiazol-2-yl]-3-keto-4-(4-phenylpiperazino)butyronitrile Formula: C23H21BrN4OS MolecularWeight: 481.40804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC(=O)C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C23H21BrN4OS/c24-18-8-6-17(7-9-18)21-16-30-23(26-21)20(14-25)22(29)15-27-10-12-28(13-11-27)19-4-2-1-3-5-19/h1-9,16,20H,10-13,15H2