2-(1,3-benzodioxol-5-yl)-5-[2-(3-methyl-4-propan-2-yl-phenoxy)ethylsulfanyl]-1,3,4-oxadiazole

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-5-[2-(3-methyl-4-propan-2-yl-phenoxy)ethylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-(1,3-benzodioxol-5-yl)-5-[2-(4-isopropyl-3-methyl-phenoxy)ethylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-(1,3-benzodioxol-5-yl)-5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylthio]-1,3,4-oxadiazole IUPAC Name: 2-(1,3-benzodioxol-5-yl)-5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-(1,3-benzodioxol-5-yl)-5-[2-(4-isopropyl-3-methyl-phenoxy)ethylthio]-1,3,4-oxadiazole Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCSC2=NN=C(O2)C3=CC4=C(C=C3)OCO4)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCCSC2=NN=C(O2)C3=CC4=C(C=C3)OCO4)C(C)C

InChI

InChI=1S/C21H22N2O4S/c1-13(2)17-6-5-16(10-14(17)3)24-8-9-28-21-23-22-20(27-21)15-4-7-18-19(11-15)26-12-25-18/h4-7,10-11,13H,8-9,12H2,1-3H3