NSC56728

Molecular Formula: C₂₀H₂₆N₂O₄S₂

InChI: InChI=1/C13H18N2OS.C7H8O3S/c1-9-6-10(2)8-11(7-9)12(16)4-3-5-17-13(14)15;1-6-2-4-7(5-3-6)11(8,9)10/h6-8H,3-5H2,1-2H3,(H3,14,15);2-5H,1H3,(H,8,9,10)/f/h14H,15H2;8H/b14-13+;

InChIKey: InChIKey=AGRHNUUURCBWHU-SYZDSBJCDI
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC(=CC(=C1)C(=O)CCCSC(=N)N)C

Names:
    NSC56728
    [4-(3,5-dimethylphenyl)-4-oxo-butyl]sulfanylmethanimidamide; 4-methylbenzenesulfonic acid

Registries:
    PubChem CID 245142
    PubChem ID 106005