3-[[1-(4-bromophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N,N-diethyl-propanamide

Systemtic Name: 3-[[1-(4-bromophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N,N-diethyl-propanamide Openeye Name: 3-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N,N-diethyl-propanamide CAS Name: 3-[[1-(4-bromophenyl)-5-tetrazolyl]thio]-N,N-diethylpropanamide IUPAC Name: 3-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N,N-diethylpropanamide Traditional Name: 3-[[1-(4-bromophenyl)tetrazol-5-yl]thio]-N,N-diethyl-propionamide Formula: C14H18BrN5OS MolecularWeight: 384.29462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CCSC1=NN=NN1C2=CC=C(C=C2)Br

Isomeric SMILES

CCN(CC)C(=O)CCSC1=NN=NN1C2=CC=C(C=C2)Br

InChI

InChI=1S/C14H18BrN5OS/c1-3-19(4-2)13(21)9-10-22-14-16-17-18-20(14)12-7-5-11(15)6-8-12/h5-8H,3-4,9-10H2,1-2H3