3-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole

Systemtic Name: 3-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole Openeye Name: 3-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole CAS Name: 3-[(2-bromo-4,5-dimethoxyphenyl)methylthio]-5-methyl-1H-1,2,4-triazole IUPAC Name: 3-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole Traditional Name: 3-[(2-bromo-4,5-dimethoxy-benzyl)thio]-5-methyl-1H-1,2,4-triazole Formula: C12H14BrN3O2S MolecularWeight: 344.22746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC2=CC(=C(C=C2Br)OC)OC

Isomeric SMILES

CC1=NC(=NN1)SCC2=CC(=C(C=C2Br)OC)OC

InChI

InChI=1S/C12H14BrN3O2S/c1-7-14-12(16-15-7)19-6-8-4-10(17-2)11(18-3)5-9(8)13/h4-5H,6H2,1-3H3,(H,14,15,16)