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

Systemtic Name: 5-(2-methylphenyl)-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-5-(o-tolyl)-1,3,4-oxadiazole-2-thione CAS Name: 5-(2-methylphenyl)-3-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(2-methylphenyl)-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-5-(o-tolyl)-1,3,4-oxadiazole-2-thione Formula: C20H22N5O3S+ MolecularWeight: 412.48538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C(=S)O2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C(=S)O2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3S/c1-15-4-2-3-5-18(15)19-21-24(20(29)28-19)14-22-10-12-23(13-11-22)16-6-8-17(9-7-16)25(26)27/h2-9H,10-14H2,1H3/p+1