3-(2-methoxyphenyl)-5-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]-1,2,4-oxadiazole

Systemtic Name: 3-(2-methoxyphenyl)-5-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]-1,2,4-oxadiazole Openeye Name: 3-(2-methoxyphenyl)-5-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanylmethyl]-1,2,4-oxadiazole CAS Name: 3-(2-methoxyphenyl)-5-[[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(2-methoxyphenyl)-5-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]-1,2,4-oxadiazole Traditional Name: 3-(2-methoxyphenyl)-5-[[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]methyl]-1,2,4-oxadiazole Formula: C20H24N5O4S2+ MolecularWeight: 462.56566

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NC(=NO3)C4=CC=CC=C4OC

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NC(=NO3)C4=CC=CC=C4OC

InChI

InChI=1S/C20H23N5O4S2/c1-24-9-11-25(12-10-24)31(26,27)15-7-8-19(21-13-15)30-14-18-22-20(23-29-18)16-5-3-4-6-17(16)28-2/h3-8,13H,9-12,14H2,1-2H3/p+1