2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole Traditional Name: 2-(3,4-dimethoxyphenyl)-5-(piperonylthio)-1,3,4-oxadiazole Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(O2)SCC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(O2)SCC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C18H16N2O5S/c1-21-13-6-4-12(8-15(13)22-2)17-19-20-18(25-17)26-9-11-3-5-14-16(7-11)24-10-23-14/h3-8H,9-10H2,1-2H3