5-(furan-2-yl)-3-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-(furan-2-yl)-3-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5-(2-furyl)-1,3,4-oxadiazole-2-thione CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-5-(2-furanyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole-2-thione Traditional Name: 3-[(4-besylpiperazin-1-ium-1-yl)methyl]-5-(2-furyl)-1,3,4-oxadiazole-2-thione Formula: C17H19N4O4S2+ MolecularWeight: 407.48716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O4S2/c22-27(23,14-5-2-1-3-6-14)20-10-8-19(9-11-20)13-21-17(26)25-16(18-21)15-7-4-12-24-15/h1-7,12H,8-11,13H2/p+1