3-[2-(4-bromanylphenoxy)ethylsulfanyl]-5-(2-fluorophenyl)-1H-1,2,4-triazole

Systemtic Name: 3-[2-(4-bromanylphenoxy)ethylsulfanyl]-5-(2-fluorophenyl)-1H-1,2,4-triazole Openeye Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-5-(2-fluorophenyl)-1H-1,2,4-triazole CAS Name: 3-[2-(4-bromophenoxy)ethylthio]-5-(2-fluorophenyl)-1H-1,2,4-triazole IUPAC Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-5-(2-fluorophenyl)-1H-1,2,4-triazole Traditional Name: 3-[2-(4-bromophenoxy)ethylthio]-5-(2-fluorophenyl)-1H-1,2,4-triazole Formula: C16H13BrFN3OS MolecularWeight: 394.261323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(=NN2)SCCOC3=CC=C(C=C3)Br)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(=NN2)SCCOC3=CC=C(C=C3)Br)F

InChI

InChI=1S/C16H13BrFN3OS/c17-11-5-7-12(8-6-11)22-9-10-23-16-19-15(20-21-16)13-3-1-2-4-14(13)18/h1-8H,9-10H2,(H,19,20,21)