3-(1-methylpyridin-1-ium-3-yl)-4-(3-phenylpropylsulfanyl)-1,2,5-oxadiazole iodide

Systemtic Name: 3-(1-methylpyridin-1-ium-3-yl)-4-(3-phenylpropylsulfanyl)-1,2,5-oxadiazole iodide Openeye Name: 3-(1-methylpyridin-1-ium-3-yl)-4-(3-phenylpropylsulfanyl)-1,2,5-oxadiazole iodide CAS Name: 3-(1-methyl-3-pyridin-1-iumyl)-4-(3-phenylpropylthio)-1,2,5-oxadiazole iodide IUPAC Name: 3-(1-methylpyridin-1-ium-3-yl)-4-(3-phenylpropylsulfanyl)-1,2,5-oxadiazole iodide Traditional Name: 3-(1-methylpyridin-1-ium-3-yl)-4-(3-phenylpropylthio)furazan iodide Formula: C17H18IN3OS MolecularWeight: 439.31379

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C2=NON=C2SCCCC3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C2=NON=C2SCCCC3=CC=CC=C3.[I-]

InChI

InChI=1S/C17H18N3OS.HI/c1-20-11-5-10-15(13-20)16-17(19-21-18-16)22-12-6-9-14-7-3-2-4-8-14;/h2-5,7-8,10-11,13H,6,9,12H2,1H3;1H/q+1;/p-1