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

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-4-methyl-5-(trifluoromethyl)-1,2,4-triazole Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-4-methyl-5-(trifluoromethyl)-1,2,4-triazole CAS Name: 3-[(4-bromo-2-fluorophenyl)methylthio]-4-methyl-5-(trifluoromethyl)-1,2,4-triazole IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methylsulfanyl]-4-methyl-5-(trifluoromethyl)-1,2,4-triazole Traditional Name: 3-[(4-bromo-2-fluoro-benzyl)thio]-4-methyl-5-(trifluoromethyl)-1,2,4-triazole Formula: C11H8BrF4N3S MolecularWeight: 370.163933

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=C(C=C(C=C2)Br)F)C(F)(F)F

Isomeric SMILES

CN1C(=NN=C1SCC2=C(C=C(C=C2)Br)F)C(F)(F)F

InChI

InChI=1S/C11H8BrF4N3S/c1-19-9(11(14,15)16)17-18-10(19)20-5-6-2-3-7(12)4-8(6)13/h2-4H,5H2,1H3