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

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-5-(3-chlorophenyl)-4-[2-(trifluoromethyl)phenyl]-1,2,4-triazole Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-5-(3-chlorophenyl)-4-[2-(trifluoromethyl)phenyl]-1,2,4-triazole CAS Name: 3-[(4-bromo-2-fluorophenyl)methylthio]-5-(3-chlorophenyl)-4-[2-(trifluoromethyl)phenyl]-1,2,4-triazole IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methylsulfanyl]-5-(3-chlorophenyl)-4-[2-(trifluoromethyl)phenyl]-1,2,4-triazole Traditional Name: 3-[(4-bromo-2-fluoro-benzyl)thio]-5-(3-chlorophenyl)-4-[2-(trifluoromethyl)phenyl]-1,2,4-triazole Formula: C22H13BrClF4N3S MolecularWeight: 542.774333

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(F)(F)F)N2C(=NN=C2SCC3=C(C=C(C=C3)Br)F)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(F)(F)F)N2C(=NN=C2SCC3=C(C=C(C=C3)Br)F)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H13BrClF4N3S/c23-15-9-8-14(18(25)11-15)12-32-21-30-29-20(13-4-3-5-16(24)10-13)31(21)19-7-2-1-6-17(19)22(26,27)28/h1-11H,12H2