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

Systemtic Name: 2-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole Openeye Name: 2-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-5-(p-tolyl)-1,3,4-oxadiazole CAS Name: 2-[(3-bromo-4-methoxyphenyl)methylthio]-5-(4-methylphenyl)-1,3,4-oxadiazole IUPAC Name: 2-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole Traditional Name: 2-[(3-bromo-4-methoxy-benzyl)thio]-5-(p-tolyl)-1,3,4-oxadiazole Formula: C17H15BrN2O2S MolecularWeight: 391.2822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN2O2S/c1-11-3-6-13(7-4-11)16-19-20-17(22-16)23-10-12-5-8-15(21-2)14(18)9-12/h3-9H,10H2,1-2H3