7-bromanyl-5-methylsulfanyl-3-(phenylmethylsulfanyl)-[1,2,4]triazolo[4,3-c]pyrimidine

Systemtic Name: 7-bromanyl-5-methylsulfanyl-3-(phenylmethylsulfanyl)-[1,2,4]triazolo[4,3-c]pyrimidine Openeye Name: 3-benzylsulfanyl-7-bromo-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidine CAS Name: 7-bromo-5-(methylthio)-3-(phenylmethylthio)-[1,2,4]triazolo[4,3-c]pyrimidine IUPAC Name: 3-benzylsulfanyl-7-bromo-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidine Traditional Name: 3-(benzylthio)-7-bromo-5-(methylthio)-[1,2,4]triazolo[4,3-c]pyrimidine Formula: C13H11BrN4S2 MolecularWeight: 367.28724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC2=NN=C(N21)SCC3=CC=CC=C3)Br

Isomeric SMILES

CSC1=NC(=CC2=NN=C(N21)SCC3=CC=CC=C3)Br

InChI

InChI=1S/C13H11BrN4S2/c1-19-12-15-10(14)7-11-16-17-13(18(11)12)20-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3