5-(2-bromophenyl)-3-[2-(4-fluoranylphenoxy)ethylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-(2-bromophenyl)-3-[2-(4-fluoranylphenoxy)ethylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(2-bromophenyl)-3-[2-(4-fluorophenoxy)ethylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(2-bromophenyl)-3-[2-(4-fluorophenoxy)ethylthio]-1H-1,2,4-triazole IUPAC Name: 5-(2-bromophenyl)-3-[2-(4-fluorophenoxy)ethylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(2-bromophenyl)-3-[2-(4-fluorophenoxy)ethylthio]-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)F)Br

Isomeric SMILES

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

InChI

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