4,6-dimethyl-1,3-diphenyl-pyrimidin-1-ium-2-thione; hydrogen sulfate

Systemtic Name: 4,6-dimethyl-1,3-diphenyl-pyrimidin-1-ium-2-thione; hydrogen sulfate Openeye Name: 4,6-dimethyl-1,3-diphenyl-pyrimidin-1-ium-2-thione; hydrogen sulfate CAS Name: 4,6-dimethyl-1,3-diphenyl-2-pyrimidin-1-iumthione; hydrogen sulfate IUPAC Name: 4,6-dimethyl-1,3-diphenylpyrimidin-1-ium-2-thione; hydrogen sulfate Traditional Name: 4,6-dimethyl-1,3-diphenyl-pyrimidin-1-ium-2-thione bisulfate Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=S)N1C2=CC=CC=C2)C3=CC=CC=C3)C.OS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=[N+](C(=S)N1C2=CC=CC=C2)C3=CC=CC=C3)C.OS(=O)(=O)[O-]

InChI

InChI=1S/C18H17N2S.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/h3-13H,1-2H3;(H2,1,2,3,4)/q+1;/p-1