3-[[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole-2-thione

Systemtic Name: 3-[[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole-2-thione Openeye Name: 3-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(2-furyl)-1,3,4-oxadiazole-2-thione CAS Name: 3-[[4-(2,6-difluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-(2-furanyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole-2-thione Traditional Name: 3-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(2-furyl)-1,3,4-oxadiazole-2-thione Formula: C17H17F2N4O4S2+ MolecularWeight: 443.468086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=S)OC(=N2)C3=CC=CO3)S(=O)(=O)C4=C(C=CC=C4F)F

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=S)OC(=N2)C3=CC=CO3)S(=O)(=O)C4=C(C=CC=C4F)F

InChI

InChI=1S/C17H16F2N4O4S2/c18-12-3-1-4-13(19)15(12)29(24,25)22-8-6-21(7-9-22)11-23-17(28)27-16(20-23)14-5-2-10-26-14/h1-5,10H,6-9,11H2/p+1