2-(1,3-benzodioxol-5-yl)-5-[3-(4-tert-butylphenoxy)propylsulfanyl]-1,3,4-oxadiazole

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-5-[3-(4-tert-butylphenoxy)propylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-(1,3-benzodioxol-5-yl)-5-[3-(4-tert-butylphenoxy)propylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-(1,3-benzodioxol-5-yl)-5-[3-(4-tert-butylphenoxy)propylthio]-1,3,4-oxadiazole IUPAC Name: 2-(1,3-benzodioxol-5-yl)-5-[3-(4-tert-butylphenoxy)propylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-(1,3-benzodioxol-5-yl)-5-[3-(4-tert-butylphenoxy)propylthio]-1,3,4-oxadiazole Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCCSC2=NN=C(O2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCCSC2=NN=C(O2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H24N2O4S/c1-22(2,3)16-6-8-17(9-7-16)25-11-4-12-29-21-24-23-20(28-21)15-5-10-18-19(13-15)27-14-26-18/h5-10,13H,4,11-12,14H2,1-3H3