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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-methylphenyl)-1,3,4-oxadiazole Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(p-tolyl)-1,3,4-oxadiazole CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-5-(4-methylphenyl)-1,3,4-oxadiazole IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-methylphenyl)-1,3,4-oxadiazole Traditional Name: 2-(piperonylthio)-5-(p-tolyl)-1,3,4-oxadiazole Formula: C17H14N2O3S MolecularWeight: 326.36966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(O2)SCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(O2)SCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H14N2O3S/c1-11-2-5-13(6-3-11)16-18-19-17(22-16)23-9-12-4-7-14-15(8-12)21-10-20-14/h2-8H,9-10H2,1H3