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  • [Synonyms]

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight348.38024 [g/mol]
    Molecular FormulaC14H16N6O3S
    XLogP-0.1
    H-Bond Donor3
    H-Bond Acceptor9
    Rotatable Bond Count7
    Tautomer Count6
    Exact Mass348.100459
    MonoIsotopic Mass348.100459
    Topological Polar Surface Area156
    Heavy Atom Count24
    Formal Charge0
    Complexity669
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count2
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 2-[4-[[4-cyano-5-(methoxyamino)penta-2,
    4-dienylidene]amino]phenyl]sulfonylguanidine
    Canonical SMILES: CONC=C(C=CC=NC1=CC=C(C=C1)S(=O)(=O)N=C(N)N)C#N
    InChI: InChI=1/C14H16N6O3S/c1-23-19-10-11(9-15)3-2-8-18-12-4-6-13(7-5-12)24(21,
    22)20-14(16)17/h2-8,10,19H,1H3,(H4,16,17,20)/b3-2u,11-10u,
    18-8+/f/h16-17H2



.15625