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

Systemtic Name: 2-[(2-bromanyl-4,5-diethoxy-phenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole Openeye Name: 2-[(2-bromo-4,5-diethoxy-phenyl)methylsulfanyl]-5-(o-tolyl)-1,3,4-oxadiazole CAS Name: 2-[(2-bromo-4,5-diethoxyphenyl)methylthio]-5-(2-methylphenyl)-1,3,4-oxadiazole IUPAC Name: 2-[(2-bromo-4,5-diethoxyphenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole Traditional Name: 2-[(2-bromo-4,5-diethoxy-benzyl)thio]-5-(o-tolyl)-1,3,4-oxadiazole Formula: C20H21BrN2O3S MolecularWeight: 449.36134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CSC2=NN=C(O2)C3=CC=CC=C3C)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CSC2=NN=C(O2)C3=CC=CC=C3C)Br)OCC

InChI

InChI=1S/C20H21BrN2O3S/c1-4-24-17-10-14(16(21)11-18(17)25-5-2)12-27-20-23-22-19(26-20)15-9-7-6-8-13(15)3/h6-11H,4-5,12H2,1-3H3