3-(3,4-dimethoxyphenyl)-5-[2-(phenylmethylsulfanyl)phenyl]-1,2,4-oxadiazole

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-[2-(phenylmethylsulfanyl)phenyl]-1,2,4-oxadiazole Openeye Name: 5-(2-benzylsulfanylphenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole CAS Name: 3-(3,4-dimethoxyphenyl)-5-[2-(phenylmethylthio)phenyl]-1,2,4-oxadiazole IUPAC Name: 5-(2-benzylsulfanylphenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole Traditional Name: 5-[2-(benzylthio)phenyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole Formula: C23H20N2O3S MolecularWeight: 404.4815

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=N2)C3=CC=CC=C3SCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=N2)C3=CC=CC=C3SCC4=CC=CC=C4)OC

InChI

InChI=1S/C23H20N2O3S/c1-26-19-13-12-17(14-20(19)27-2)22-24-23(28-25-22)18-10-6-7-11-21(18)29-15-16-8-4-3-5-9-16/h3-14H,15H2,1-2H3