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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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