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

Systemtic Name: 2-[(2-bromanyl-4,5-diethoxy-phenyl)methylsulfanyl]-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole Openeye Name: 2-[(2-bromo-4,5-diethoxy-phenyl)methylsulfanyl]-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole CAS Name: 2-[(2-bromo-4,5-diethoxyphenyl)methylthio]-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole IUPAC Name: 2-[(2-bromo-4,5-diethoxyphenyl)methylsulfanyl]-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole Traditional Name: 2-[(2-bromo-4,5-diethoxy-benzyl)thio]-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole Formula: C21H23BrN2O4S MolecularWeight: 479.38732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CSC2=NN=C(O2)COC3=CC=CC(=C3)C)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CSC2=NN=C(O2)COC3=CC=CC(=C3)C)Br)OCC

InChI

InChI=1S/C21H23BrN2O4S/c1-4-25-18-10-15(17(22)11-19(18)26-5-2)13-29-21-24-23-20(28-21)12-27-16-8-6-7-14(3)9-16/h6-11H,4-5,12-13H2,1-3H3