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

Systemtic Name: 3-[(2-bromanyl-4-fluoranyl-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole Openeye Name: 3-[(2-bromo-4-fluoro-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole CAS Name: 3-[(2-bromo-4-fluorophenyl)methylthio]-5-(4-methoxyphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[(2-bromo-4-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole Traditional Name: 3-[(2-bromo-4-fluoro-benzyl)thio]-5-(4-methoxyphenyl)-1H-1,2,4-triazole Formula: C16H13BrFN3OS MolecularWeight: 394.261323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)SCC3=C(C=C(C=C3)F)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)SCC3=C(C=C(C=C3)F)Br

InChI

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