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

Systemtic Name: 1-phenyl-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]-1,2,3,4-tetrazole-5-thione Openeye Name: 1-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-4-phenyl-tetrazole-5-thione CAS Name: 1-phenyl-4-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-5-tetrazolethione IUPAC Name: 1-phenyl-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]tetrazole-5-thione Traditional Name: 1-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-4-phenyl-tetrazole-5-thione Formula: C21H25N6S+ MolecularWeight: 393.5284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)CN3C(=S)N(N=N3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)CN3C(=S)N(N=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N6S/c28-21-26(22-23-27(21)20-11-5-2-6-12-20)18-25-16-14-24(15-17-25)13-7-10-19-8-3-1-4-9-19/h1-12H,13-18H2/p+1/b10-7+