2-[(2-bromanyl-4,5-diethoxy-phenyl)methylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(2-bromanyl-4,5-diethoxy-phenyl)methylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole Openeye Name: 2-[(2-bromo-4,5-diethoxy-phenyl)methylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole CAS Name: 2-[(2-bromo-4,5-diethoxyphenyl)methylthio]-5-(4-fluorophenyl)-1,3,4-oxadiazole IUPAC Name: 2-[(2-bromo-4,5-diethoxyphenyl)methylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole Traditional Name: 2-[(2-bromo-4,5-diethoxy-benzyl)thio]-5-(4-fluorophenyl)-1,3,4-oxadiazole Formula: C19H18BrFN2O3S MolecularWeight: 453.325223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CSC2=NN=C(O2)C3=CC=C(C=C3)F)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CSC2=NN=C(O2)C3=CC=C(C=C3)F)Br)OCC

InChI

InChI=1S/C19H18BrFN2O3S/c1-3-24-16-9-13(15(20)10-17(16)25-4-2)11-27-19-23-22-18(26-19)12-5-7-14(21)8-6-12/h5-10H,3-4,11H2,1-2H3