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

Systemtic Name: 3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole-2-thione Openeye Name: 3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)-1,3,4-oxadiazole-2-thione CAS Name: 3-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole-2-thione Traditional Name: 3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)-1,3,4-oxadiazole-2-thione Formula: C17H18N5O3S2+ MolecularWeight: 404.48652

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=S)OC(=N2)C3=CC=CS3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=S)OC(=N2)C3=CC=CS3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O3S2/c23-22(24)14-5-3-13(4-6-14)20-9-7-19(8-10-20)12-21-17(26)25-16(18-21)15-2-1-11-27-15/h1-6,11H,7-10,12H2/p+1