3-(tert-butylsulfonylmethyl)-5-[2-(4-methoxyphenoxy)-5-nitro-phenyl]-1,2,4-oxadiazole

Systemtic Name: 3-(tert-butylsulfonylmethyl)-5-[2-(4-methoxyphenoxy)-5-nitro-phenyl]-1,2,4-oxadiazole Openeye Name: 3-(tert-butylsulfonylmethyl)-5-[2-(4-methoxyphenoxy)-5-nitro-phenyl]-1,2,4-oxadiazole CAS Name: 3-(tert-butylsulfonylmethyl)-5-[2-(4-methoxyphenoxy)-5-nitrophenyl]-1,2,4-oxadiazole IUPAC Name: 3-(tert-butylsulfonylmethyl)-5-[2-(4-methoxyphenoxy)-5-nitrophenyl]-1,2,4-oxadiazole Traditional Name: 3-(tert-butylsulfonylmethyl)-5-[2-(4-methoxyphenoxy)-5-nitro-phenyl]-1,2,4-oxadiazole Formula: C20H21N3O7S MolecularWeight: 447.46164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)CC1=NOC(=N1)C2=C(C=CC(=C2)[N+](=O)[O-])OC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)S(=O)(=O)CC1=NOC(=N1)C2=C(C=CC(=C2)[N+](=O)[O-])OC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H21N3O7S/c1-20(2,3)31(26,27)12-18-21-19(30-22-18)16-11-13(23(24)25)5-10-17(16)29-15-8-6-14(28-4)7-9-15/h5-11H,12H2,1-4H3