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

Systemtic Name: 3-[2-(3-bromanylphenoxy)ethylsulfanyl]-5-(4-fluorophenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[2-(3-bromophenoxy)ethylsulfanyl]-5-(4-fluorophenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[2-(3-bromophenoxy)ethylthio]-5-(4-fluorophenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[2-(3-bromophenoxy)ethylsulfanyl]-5-(4-fluorophenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[2-(3-bromophenoxy)ethylthio]-5-(4-fluorophenyl)-4-phenyl-1,2,4-triazole Formula: C22H17BrFN3OS MolecularWeight: 470.357283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCCOC3=CC(=CC=C3)Br)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCOC3=CC(=CC=C3)Br)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H17BrFN3OS/c23-17-5-4-8-20(15-17)28-13-14-29-22-26-25-21(16-9-11-18(24)12-10-16)27(22)19-6-2-1-3-7-19/h1-12,15H,13-14H2