4,6-dimethyl-1,3-diphenyl-1,4-dihydropyrimidin-1-ium-2-thione; hydron; sulfate

Systemtic Name: 4,6-dimethyl-1,3-diphenyl-1,4-dihydropyrimidin-1-ium-2-thione; hydron; sulfate Openeye Name: 4,6-dimethyl-1,3-diphenyl-1,4-dihydropyrimidin-1-ium-2-thione; hydron; sulfate CAS Name: 4,6-dimethyl-1,3-diphenyl-1,4-dihydropyrimidin-1-ium-2-thione; hydron; sulfate IUPAC Name: 4,6-dimethyl-1,3-diphenyl-1,4-dihydropyrimidin-1-ium-2-thione; hydron; sulfate Traditional Name: 4,6-dimethyl-1,3-diphenyl-1,4-dihydropyrimidin-1-ium-2-thione; hydron; sulfate Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CC1C=C([NH+](C(=S)N1C2=CC=CC=C2)C3=CC=CC=C3)C.[O-]S(=O)(=O)[O-]

Isomeric SMILES

[H+].CC1C=C([NH+](C(=S)N1C2=CC=CC=C2)C3=CC=CC=C3)C.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C18H18N2S.H2O4S/c1-14-13-15(2)20(17-11-7-4-8-12-17)18(21)19(14)16-9-5-3-6-10-16;1-5(2,3)4/h3-14H,1-2H3;(H2,1,2,3,4)