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

Systemtic Name: 2-[[1-(4-bromophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-pyrimidin-2-yl-ethanamide Openeye Name: 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-pyrimidin-2-yl-acetamide CAS Name: 2-[[1-(4-bromophenyl)-5-tetrazolyl]thio]-N-(2-pyrimidinyl)acetamide IUPAC Name: 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-pyrimidin-2-ylacetamide Traditional Name: 2-[[1-(4-bromophenyl)tetrazol-5-yl]thio]-N-(2-pyrimidyl)acetamide Formula: C13H10BrN7OS MolecularWeight: 392.2338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CN=C(N=C1)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)Br

InChI

InChI=1S/C13H10BrN7OS/c14-9-2-4-10(5-3-9)21-13(18-19-20-21)23-8-11(22)17-12-15-6-1-7-16-12/h1-7H,8H2,(H,15,16,17,22)