2-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]ethanamide

Systemtic Name: 2-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]ethanamide Openeye Name: 2-[4-(5-bromo-2-pyridyl)piperazin-1-yl]-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]acetamide CAS Name: 2-[4-(5-bromo-2-pyridinyl)-1-piperazinyl]-N-[2-[(2-cyanophenyl)methylthio]ethyl]acetamide IUPAC Name: 2-[4-(5-bromopyridin-2-yl)piperazin-1-yl]-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]acetamide Traditional Name: 2-[4-(5-bromo-2-pyridyl)piperazino]-N-[2-[(2-cyanobenzyl)thio]ethyl]acetamide Formula: C21H24BrN5OS MolecularWeight: 474.41716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NCCSCC2=CC=CC=C2C#N)C3=NC=C(C=C3)Br

Isomeric SMILES

C1CN(CCN1CC(=O)NCCSCC2=CC=CC=C2C#N)C3=NC=C(C=C3)Br

InChI

InChI=1S/C21H24BrN5OS/c22-19-5-6-20(25-14-19)27-10-8-26(9-11-27)15-21(28)24-7-12-29-16-18-4-2-1-3-17(18)13-23/h1-6,14H,7-12,15-16H2,(H,24,28)