5-methyl-3-[4-(4-methylsulfonyl-2-nitro-phenoxy)phenyl]-1,2,4-oxadiazole

Systemtic Name: 5-methyl-3-[4-(4-methylsulfonyl-2-nitro-phenoxy)phenyl]-1,2,4-oxadiazole Openeye Name: 5-methyl-3-[4-(4-methylsulfonyl-2-nitro-phenoxy)phenyl]-1,2,4-oxadiazole CAS Name: 5-methyl-3-[4-(4-methylsulfonyl-2-nitrophenoxy)phenyl]-1,2,4-oxadiazole IUPAC Name: 5-methyl-3-[4-(4-methylsulfonyl-2-nitrophenoxy)phenyl]-1,2,4-oxadiazole Traditional Name: 3-[4-(4-mesyl-2-nitro-phenoxy)phenyl]-5-methyl-1,2,4-oxadiazole Formula: C16H13N3O6S MolecularWeight: 375.35592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NO1)C2=CC=C(C=C2)OC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NO1)C2=CC=C(C=C2)OC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O6S/c1-10-17-16(18-25-10)11-3-5-12(6-4-11)24-15-8-7-13(26(2,22)23)9-14(15)19(20)21/h3-9H,1-2H3