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  • [Synonyms]

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight460.55136 [g/mol]
    Molecular FormulaC24H24N6O2S
    XLogP4.6
    H-Bond Donor2
    H-Bond Acceptor6
    Rotatable Bond Count8
    Tautomer Count3
    Exact Mass460.168145
    MonoIsotopic Mass460.168145
    Topological Polar Surface Area131
    Heavy Atom Count33
    Formal Charge0
    Complexity781
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count2
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count2
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: N-[1-(4-cyanophenyl)ethylideneamino]-2-[1-[2-[1-(4-cyanophenyl)
    ethylidene]hydrazinyl]-1-oxopropan-2-yl]sulfanylpropanamide
    Canonical SMILES: CC(C(=O)NN=C(C)C1=CC=C(C=C1)C#N)SC(C)C(=O)NN=C(C)C2=CC=C(C=C2)C#N
    InChI: InChI=1/C24H24N6O2S/c1-15(21-9-5-19(13-25)6-10-21)27-29-23(31)17(3)33-18
    (4)24(32)30-28-16(2)22-11-7-20(14-26)8-12-22/h5-12,17-18H,1-4H3,(H,29,
    31)(H,30,32)/f/h29-30H



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