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

Systemtic Name: 3-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-4-methyl-5-(trifluoromethyl)-1,2,4-triazole Openeye Name: 3-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]-4-methyl-5-(trifluoromethyl)-1,2,4-triazole CAS Name: 3-[(2-bromo-4,5-dimethoxyphenyl)methylthio]-4-methyl-5-(trifluoromethyl)-1,2,4-triazole IUPAC Name: 3-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-4-methyl-5-(trifluoromethyl)-1,2,4-triazole Traditional Name: 3-[(2-bromo-4,5-dimethoxy-benzyl)thio]-4-methyl-5-(trifluoromethyl)-1,2,4-triazole Formula: C13H13BrF3N3O2S MolecularWeight: 412.22543

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=C(C=C2Br)OC)OC)C(F)(F)F

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=C(C=C2Br)OC)OC)C(F)(F)F

InChI

InChI=1S/C13H13BrF3N3O2S/c1-20-11(13(15,16)17)18-19-12(20)23-6-7-4-9(21-2)10(22-3)5-8(7)14/h4-5H,6H2,1-3H3