5-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylsulfonylmethyl]-1,2,4-oxadiazole

Systemtic Name: 5-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylsulfonylmethyl]-1,2,4-oxadiazole Openeye Name: 5-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylsulfonylmethyl]-1,2,4-oxadiazole CAS Name: 5-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylsulfonylmethyl]-1,2,4-oxadiazole IUPAC Name: 5-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylsulfonylmethyl]-1,2,4-oxadiazole Traditional Name: 5-(3,4-dimethoxyphenyl)-3-[(4-fluorobenzyl)sulfonylmethyl]-1,2,4-oxadiazole Formula: C18H17FN2O5S MolecularWeight: 392.401383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=NO2)CS(=O)(=O)CC3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=NO2)CS(=O)(=O)CC3=CC=C(C=C3)F)OC

InChI

InChI=1S/C18H17FN2O5S/c1-24-15-8-5-13(9-16(15)25-2)18-20-17(21-26-18)11-27(22,23)10-12-3-6-14(19)7-4-12/h3-9H,10-11H2,1-2H3