3-(4-methylphenyl)-5-(3-methyl-5-thiomorpholin-4-ylsulfonyl-1-benzofuran-2-yl)-1,2,4-oxadiazole

Systemtic Name: 3-(4-methylphenyl)-5-(3-methyl-5-thiomorpholin-4-ylsulfonyl-1-benzofuran-2-yl)-1,2,4-oxadiazole Openeye Name: 5-(3-methyl-5-thiomorpholinosulfonyl-benzofuran-2-yl)-3-(p-tolyl)-1,2,4-oxadiazole CAS Name: 3-(4-methylphenyl)-5-(3-methyl-5-thiomorpholin-4-ylsulfonyl-2-benzofuranyl)-1,2,4-oxadiazole IUPAC Name: 3-(4-methylphenyl)-5-(3-methyl-5-thiomorpholin-4-ylsulfonyl-1-benzofuran-2-yl)-1,2,4-oxadiazole Traditional Name: 5-(3-methyl-5-thiomorpholinosulfonyl-benzofuran-2-yl)-3-(p-tolyl)-1,2,4-oxadiazole Formula: C22H21N3O4S2 MolecularWeight: 455.54984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)C3=C(C4=C(O3)C=CC(=C4)S(=O)(=O)N5CCSCC5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)C3=C(C4=C(O3)C=CC(=C4)S(=O)(=O)N5CCSCC5)C

InChI

InChI=1S/C22H21N3O4S2/c1-14-3-5-16(6-4-14)21-23-22(29-24-21)20-15(2)18-13-17(7-8-19(18)28-20)31(26,27)25-9-11-30-12-10-25/h3-8,13H,9-12H2,1-2H3