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

Systemtic Name: 3-[2-(4-bromanylphenoxy)ethylsulfanyl]-5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazole Openeye Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazole CAS Name: 3-[2-(4-bromophenoxy)ethylthio]-5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazole IUPAC Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazole Traditional Name: 3-[2-(4-bromophenoxy)ethylthio]-5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazole Formula: C24H21BrFN3OS MolecularWeight: 498.410443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCCOC3=CC=C(C=C3)Br)C4=CC=CC=C4F

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCCOC3=CC=C(C=C3)Br)C4=CC=CC=C4F

InChI

InChI=1S/C24H21BrFN3OS/c25-19-10-12-20(13-11-19)30-16-17-31-24-28-27-23(21-8-4-5-9-22(21)26)29(24)15-14-18-6-2-1-3-7-18/h1-13H,14-17H2