(5E)-5-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]methylidene]-2-sulfanylidene-1,3-thiazol-4-olate

Systemtic Name: (5E)-5-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]methylidene]-2-sulfanylidene-1,3-thiazol-4-olate Openeye Name: (5E)-5-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]methylene]-2-thioxo-thiazol-4-olate CAS Name: (5E)-5-[[4-(4-methyl-1-piperazin-4-iumyl)-3-nitrophenyl]methylidene]-2-sulfanylidene-4-thiazololate IUPAC Name: (5E)-5-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitrophenyl]methylidene]-2-sulfanylidene-1,3-thiazol-4-olate Traditional Name: (5E)-5-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzylidene]-2-thioxo-3-thiazolin-4-olate Formula: C15H16N4O3S2 MolecularWeight: 364.44254

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C=C3C(=NC(=S)S3)[O-])[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)/C=C/3\C(=NC(=S)S3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O3S2/c1-17-4-6-18(7-5-17)11-3-2-10(8-12(11)19(21)22)9-13-14(20)16-15(23)24-13/h2-3,8-9H,4-7H2,1H3,(H,16,20,23)/b13-9+