5-azanyl-3-ethyl-2-phenyl-1H-pyridazin-2-ium-6-thione; hydron; sulfate

Systemtic Name: 5-azanyl-3-ethyl-2-phenyl-1H-pyridazin-2-ium-6-thione; hydron; sulfate Openeye Name: 5-amino-3-ethyl-2-phenyl-1H-pyridazin-2-ium-6-thione; hydron; sulfate CAS Name: 5-amino-3-ethyl-2-phenyl-1H-pyridazin-2-ium-6-thione; hydron; sulfate IUPAC Name: 5-amino-3-ethyl-2-phenyl-1H-pyridazin-2-ium-6-thione; hydron; sulfate Traditional Name: 5-amino-3-ethyl-2-phenyl-1H-pyridazin-2-ium-6-thione; hydron; sulfate Formula: C12H15N3O4S2 MolecularWeight: 329.3952

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CCC1=[N+](NC(=S)C(=C1)N)C2=CC=CC=C2.[O-]S(=O)(=O)[O-]

Isomeric SMILES

[H+].CCC1=[N+](NC(=S)C(=C1)N)C2=CC=CC=C2.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C12H13N3S.H2O4S/c1-2-9-8-11(13)12(16)14-15(9)10-6-4-3-5-7-10;1-5(2,3)4/h3-8,13H,2H2,1H3,(H,14,16);(H2,1,2,3,4)