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

Systemtic Name: 1-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,3,4-tetrazole-5-thione Openeye Name: 1-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-tetrazole-5-thione CAS Name: 1-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-4-phenyl-5-tetrazolethione IUPAC Name: 1-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-4-phenyltetrazole-5-thione Traditional Name: 1-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-tetrazole-5-thione Formula: C18H20N7O2S+ MolecularWeight: 398.4621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N7O2S/c26-25(27)17-8-6-15(7-9-17)22-12-10-21(11-13-22)14-23-18(28)24(20-19-23)16-4-2-1-3-5-16/h1-9H,10-14H2/p+1