3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-4-(2-methoxyphenyl)-1,2,4-triazole

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-4-(2-methoxyphenyl)-1,2,4-triazole Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-4-(2-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(4-bromo-2-fluorophenyl)methylthio]-4-(2-methoxyphenyl)-1,2,4-triazole IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methylsulfanyl]-4-(2-methoxyphenyl)-1,2,4-triazole Traditional Name: 3-[(4-bromo-2-fluoro-benzyl)thio]-4-(2-methoxyphenyl)-1,2,4-triazole Formula: C16H13BrFN3OS MolecularWeight: 394.261323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C=NN=C2SCC3=C(C=C(C=C3)Br)F

Isomeric SMILES

COC1=CC=CC=C1N2C=NN=C2SCC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C16H13BrFN3OS/c1-22-15-5-3-2-4-14(15)21-10-19-20-16(21)23-9-11-6-7-12(17)8-13(11)18/h2-8,10H,9H2,1H3