2-(2-methylfuran-3-yl)-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,3,4-oxadiazole

Systemtic Name: 2-(2-methylfuran-3-yl)-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,3,4-oxadiazole Openeye Name: 2-(2-methyl-3-furyl)-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,3,4-oxadiazole CAS Name: 2-(2-methyl-3-furanyl)-5-[[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitrophenyl]thio]-1,3,4-oxadiazole IUPAC Name: 2-(2-methylfuran-3-yl)-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitrophenyl]sulfanyl-1,3,4-oxadiazole Traditional Name: 2-(2-methyl-3-furyl)-5-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]thio]-1,3,4-oxadiazole Formula: C18H20N5O6S2+ MolecularWeight: 466.5113

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(O2)SC3=C(C=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(O2)SC3=C(C=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O6S2/c1-12-14(5-10-28-12)17-19-20-18(29-17)30-16-4-3-13(11-15(16)23(24)25)31(26,27)22-8-6-21(2)7-9-22/h3-5,10-11H,6-9H2,1-2H3/p+1