2-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]-5-(phenylmethyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]-5-(phenylmethyl)-1,3,4-oxadiazole Openeye Name: 2-benzyl-5-[(4-bromo-2,5-dimethoxy-phenyl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-[(4-bromo-2,5-dimethoxyphenyl)methylthio]-5-(phenylmethyl)-1,3,4-oxadiazole IUPAC Name: 2-benzyl-5-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-benzyl-5-[(4-bromo-2,5-dimethoxy-benzyl)thio]-1,3,4-oxadiazole Formula: C18H17BrN2O3S MolecularWeight: 421.30818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CSC2=NN=C(O2)CC3=CC=CC=C3)OC)Br

Isomeric SMILES

COC1=CC(=C(C=C1CSC2=NN=C(O2)CC3=CC=CC=C3)OC)Br

InChI

InChI=1S/C18H17BrN2O3S/c1-22-15-10-14(19)16(23-2)9-13(15)11-25-18-21-20-17(24-18)8-12-6-4-3-5-7-12/h3-7,9-10H,8,11H2,1-2H3