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

Systemtic Name: 5-phenyl-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-phenyl-1,3,4-oxadiazole-2-thione CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-5-phenyl-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole-2-thione Traditional Name: 3-[(4-besylpiperazin-1-ium-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole-2-thione Formula: C19H21N4O3S2+ MolecularWeight: 417.52504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O3S2/c24-28(25,17-9-5-2-6-10-17)22-13-11-21(12-14-22)15-23-19(27)26-18(20-23)16-7-3-1-4-8-16/h1-10H,11-15H2/p+1