2-(benzotriazol-1-yl)-N-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethyl]ethanamide

Systemtic Name: 2-(benzotriazol-1-yl)-N-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethyl]ethanamide Openeye Name: 2-(benzotriazol-1-yl)-N-[2-[(5-bromo-2-thienyl)methylsulfanyl]ethyl]acetamide CAS Name: 2-(1-benzotriazolyl)-N-[2-[(5-bromo-2-thiophenyl)methylthio]ethyl]acetamide IUPAC Name: 2-(benzotriazol-1-yl)-N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]acetamide Traditional Name: 2-(benzotriazol-1-yl)-N-[2-[(5-bromo-2-thienyl)methylthio]ethyl]acetamide Formula: C15H15BrN4OS2 MolecularWeight: 411.3398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CC(=O)NCCSCC3=CC=C(S3)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CC(=O)NCCSCC3=CC=C(S3)Br

InChI

InChI=1S/C15H15BrN4OS2/c16-14-6-5-11(23-14)10-22-8-7-17-15(21)9-20-13-4-2-1-3-12(13)18-19-20/h1-6H,7-10H2,(H,17,21)