2-[[1-(4-bromophenyl)-1,2,3,4-tetrazol-5-yl]methylsulfanyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[[1-(4-bromophenyl)-1,2,3,4-tetrazol-5-yl]methylsulfanyl]-1H-pyrimidin-6-one Openeye Name: 2-[[1-(4-bromophenyl)tetrazol-5-yl]methylsulfanyl]-1H-pyrimidin-6-one CAS Name: 2-[[1-(4-bromophenyl)-5-tetrazolyl]methylthio]-1H-pyrimidin-6-one IUPAC Name: 2-[[1-(4-bromophenyl)tetrazol-5-yl]methylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 2-[[1-(4-bromophenyl)tetrazol-5-yl]methylthio]-1H-pyrimidin-6-one Formula: C12H9BrN6OS MolecularWeight: 365.20846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=NN=N2)CSC3=NC=CC(=O)N3)Br

Isomeric SMILES

C1=CC(=CC=C1N2C(=NN=N2)CSC3=NC=CC(=O)N3)Br

InChI

InChI=1S/C12H9BrN6OS/c13-8-1-3-9(4-2-8)19-10(16-17-18-19)7-21-12-14-6-5-11(20)15-12/h1-6H,7H2,(H,14,15,20)