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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole Traditional Name: 2-(4-tert-butylphenyl)-5-(piperonylthio)-1,3,4-oxadiazole Formula: C20H20N2O3S MolecularWeight: 368.4494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S/c1-20(2,3)15-7-5-14(6-8-15)18-21-22-19(25-18)26-11-13-4-9-16-17(10-13)24-12-23-16/h4-10H,11-12H2,1-3H3