2-(3-bromophenyl)-5-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1,3,4-oxadiazole

Systemtic Name: 2-(3-bromophenyl)-5-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-(3-bromophenyl)-5-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-(3-bromophenyl)-5-[(4-methoxy-3-nitrophenyl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-(3-bromophenyl)-5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-(3-bromophenyl)-5-[(4-methoxy-3-nitro-benzyl)thio]-1,3,4-oxadiazole Formula: C16H12BrN3O4S MolecularWeight: 422.25318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(O2)C3=CC(=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(O2)C3=CC(=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H12BrN3O4S/c1-23-14-6-5-10(7-13(14)20(21)22)9-25-16-19-18-15(24-16)11-3-2-4-12(17)8-11/h2-8H,9H2,1H3