3-[3,5-bis(bromanyl)-4-methoxy-phenyl]-5-(phenylsulfanylmethyl)-1,2,4-oxadiazole

Systemtic Name: 3-[3,5-bis(bromanyl)-4-methoxy-phenyl]-5-(phenylsulfanylmethyl)-1,2,4-oxadiazole Openeye Name: 3-(3,5-dibromo-4-methoxy-phenyl)-5-(phenylsulfanylmethyl)-1,2,4-oxadiazole CAS Name: 3-(3,5-dibromo-4-methoxyphenyl)-5-[(phenylthio)methyl]-1,2,4-oxadiazole IUPAC Name: 3-(3,5-dibromo-4-methoxyphenyl)-5-(phenylsulfanylmethyl)-1,2,4-oxadiazole Traditional Name: 3-(3,5-dibromo-4-methoxy-phenyl)-5-[(phenylthio)methyl]-1,2,4-oxadiazole Formula: C16H12Br2N2O2S MolecularWeight: 456.15168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Br)C2=NOC(=N2)CSC3=CC=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1Br)C2=NOC(=N2)CSC3=CC=CC=C3)Br

InChI

InChI=1S/C16H12Br2N2O2S/c1-21-15-12(17)7-10(8-13(15)18)16-19-14(22-20-16)9-23-11-5-3-2-4-6-11/h2-8H,9H2,1H3