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

Systemtic Name: 3-(3-fluoranyl-4-methyl-phenyl)-5-[3-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylpropyl]-1,2,4-oxadiazole Openeye Name: 3-(3-fluoro-4-methyl-phenyl)-5-[3-(1-oxidopyridin-1-ium-2-yl)sulfanylpropyl]-1,2,4-oxadiazole CAS Name: 3-(3-fluoro-4-methylphenyl)-5-[3-[(1-oxido-2-pyridin-1-iumyl)thio]propyl]-1,2,4-oxadiazole IUPAC Name: 3-(3-fluoro-4-methylphenyl)-5-[3-(1-oxidopyridin-1-ium-2-yl)sulfanylpropyl]-1,2,4-oxadiazole Traditional Name: 3-(3-fluoro-4-methyl-phenyl)-5-[3-[(1-oxidopyridin-1-ium-2-yl)thio]propyl]-1,2,4-oxadiazole Formula: C17H16FN3O2S MolecularWeight: 345.391243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NOC(=N2)CCCSC3=CC=CC=[N+]3[O-])F

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NOC(=N2)CCCSC3=CC=CC=[N+]3[O-])F

InChI

InChI=1S/C17H16FN3O2S/c1-12-7-8-13(11-14(12)18)17-19-15(23-20-17)5-4-10-24-16-6-2-3-9-21(16)22/h2-3,6-9,11H,4-5,10H2,1H3