3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazole

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazole Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazole CAS Name: 3-[(4-bromo-2-fluorophenyl)methylthio]-5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazole IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazole Traditional Name: 3-[(4-bromo-2-fluoro-benzyl)thio]-5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazole Formula: C24H21BrFN3OS MolecularWeight: 498.410443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2CCC3=CC=CC=C3)SCC4=C(C=C(C=C4)Br)F

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CCC3=CC=CC=C3)SCC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C24H21BrFN3OS/c1-30-22-10-6-5-9-20(22)23-27-28-24(29(23)14-13-17-7-3-2-4-8-17)31-16-18-11-12-19(25)15-21(18)26/h2-12,15H,13-14,16H2,1H3