2-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole Openeye Name: 2-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-5-(o-tolyl)-1,3,4-oxadiazole CAS Name: 2-[(4-bromo-2-fluorophenyl)methylthio]-5-(2-methylphenyl)-1,3,4-oxadiazole IUPAC Name: 2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole Traditional Name: 2-[(4-bromo-2-fluoro-benzyl)thio]-5-(o-tolyl)-1,3,4-oxadiazole Formula: C16H12BrFN2OS MolecularWeight: 379.246683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(O2)SCC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(O2)SCC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C16H12BrFN2OS/c1-10-4-2-3-5-13(10)15-19-20-16(21-15)22-9-11-6-7-12(17)8-14(11)18/h2-8H,9H2,1H3