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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole Traditional Name: 2-(piperonylthio)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)SCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)SCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H18N2O6S/c1-22-15-7-12(8-16(23-2)17(15)24-3)18-20-21-19(27-18)28-9-11-4-5-13-14(6-11)26-10-25-13/h4-8H,9-10H2,1-3H3