2-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-(3,4-dimethylphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-(3,4-dimethylphenyl)-1,3,4-oxadiazole Openeye Name: 2-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-5-(3,4-dimethylphenyl)-1,3,4-oxadiazole CAS Name: 2-[(3-bromo-4-methoxyphenyl)methylthio]-5-(3,4-dimethylphenyl)-1,3,4-oxadiazole IUPAC Name: 2-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-5-(3,4-dimethylphenyl)-1,3,4-oxadiazole Traditional Name: 2-[(3-bromo-4-methoxy-benzyl)thio]-5-(3,4-dimethylphenyl)-1,3,4-oxadiazole Formula: C18H17BrN2O2S MolecularWeight: 405.30878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(O2)SCC3=CC(=C(C=C3)OC)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(O2)SCC3=CC(=C(C=C3)OC)Br)C

InChI

InChI=1S/C18H17BrN2O2S/c1-11-4-6-14(8-12(11)2)17-20-21-18(23-17)24-10-13-5-7-16(22-3)15(19)9-13/h4-9H,10H2,1-3H3