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

Systemtic Name: 5-(4-tert-butylphenyl)-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-(4-tert-butylphenyl)-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(4-tert-butylphenyl)-3-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(4-tert-butylphenyl)-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-(4-tert-butylphenyl)-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione Formula: C23H28N5O3S+ MolecularWeight: 454.56512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O3S/c1-23(2,3)18-6-4-17(5-7-18)21-24-27(22(32)31-21)16-25-12-14-26(15-13-25)19-8-10-20(11-9-19)28(29)30/h4-11H,12-16H2,1-3H3/p+1