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  • NSC152868 6-(phenylmethyl)-[1,2,4]triazolo[1,5-c][1,3,5]triazine-7-thi
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    NSC152868
    [Structure]
    NSC152868 6-(phenylmethyl)-[1,2,4]triazolo[1,5-c][1,3,5]triazine-7-thi

    [ Properties Computed from Structure]
    Molecular Weight243.28766 [g/mol]
    Molecular FormulaC11H9N5S
    XLogP0.3
    H-Bond Donor0
    H-Bond Acceptor3
    Rotatable Bond Count2
    Exact Mass243.057866
    MonoIsotopic Mass243.057866
    Topological Polar Surface Area46.3
    Heavy Atom Count17
    Formal Charge0
    Complexity326
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 6-(phenylmethyl)-[1,2,4]triazolo[1,5-c][1,3,5]triazine-7-thione
    Canonical SMILES: C1=CC=C(C=C1)CN2C=NC3=NC=NN3C2=S
    InChI: InChI=1/C11H9N5S/c17-11-15(6-9-4-2-1-3-5-9)8-13-10-12-7-14-16(10)11/h1-
    5,7-8H,6H2

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