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

Systemtic Name: 3-(4-methylsulfanylphenyl)-5-(3-methyl-5-thiomorpholin-4-ylsulfonyl-1-benzofuran-2-yl)-1,2,4-oxadiazole Openeye Name: 3-(4-methylsulfanylphenyl)-5-(3-methyl-5-thiomorpholinosulfonyl-benzofuran-2-yl)-1,2,4-oxadiazole CAS Name: 5-(3-methyl-5-thiomorpholin-4-ylsulfonyl-2-benzofuranyl)-3-[4-(methylthio)phenyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-methylsulfanylphenyl)-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-[4-(methylthio)phenyl]-1,2,4-oxadiazole Formula: C22H21N3O4S3 MolecularWeight: 487.61484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCSCC3)C4=NC(=NO4)C5=CC=C(C=C5)SC

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCSCC3)C4=NC(=NO4)C5=CC=C(C=C5)SC

InChI

InChI=1S/C22H21N3O4S3/c1-14-18-13-17(32(26,27)25-9-11-31-12-10-25)7-8-19(18)28-20(14)22-23-21(24-29-22)15-3-5-16(30-2)6-4-15/h3-8,13H,9-12H2,1-2H3