3-(3-fluoranyl-4-methyl-phenyl)-5-[1-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethyl]-1,2,4-oxadiazole

Systemtic Name: 3-(3-fluoranyl-4-methyl-phenyl)-5-[1-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethyl]-1,2,4-oxadiazole Openeye Name: 3-(3-fluoro-4-methyl-phenyl)-5-[1-(1-oxidopyridin-1-ium-2-yl)sulfanylethyl]-1,2,4-oxadiazole CAS Name: 3-(3-fluoro-4-methylphenyl)-5-[1-[(1-oxido-2-pyridin-1-iumyl)thio]ethyl]-1,2,4-oxadiazole IUPAC Name: 3-(3-fluoro-4-methylphenyl)-5-[1-(1-oxidopyridin-1-ium-2-yl)sulfanylethyl]-1,2,4-oxadiazole Traditional Name: 3-(3-fluoro-4-methyl-phenyl)-5-[1-[(1-oxidopyridin-1-ium-2-yl)thio]ethyl]-1,2,4-oxadiazole Formula: C16H14FN3O2S MolecularWeight: 331.364663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NOC(=N2)C(C)SC3=CC=CC=[N+]3[O-])F

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NOC(=N2)C(C)SC3=CC=CC=[N+]3[O-])F

InChI

InChI=1S/C16H14FN3O2S/c1-10-6-7-12(9-13(10)17)15-18-16(22-19-15)11(2)23-14-5-3-4-8-20(14)21/h3-9,11H,1-2H3