Free Chemical Databases



  • [Synonyms]

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight378.51372 [g/mol]
    Molecular FormulaC20H18N4S2
    XLogP4.7
    H-Bond Donor2
    H-Bond Acceptor4
    Rotatable Bond Count6
    Tautomer Count6
    Exact Mass378.097288
    MonoIsotopic Mass378.097288
    Topological Polar Surface Area48.8
    Heavy Atom Count26
    Formal Charge0
    Complexity430
    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: N-phenyl-N'-[4-[[(phenylamino)-sulfanylmethylidene]amino]phenyl]-1-
    sulfanylmethanimidamide
    Canonical SMILES: C1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)N=C(NC3=CC=CC=C3)S)S
    InChI: InChI=1/C20H18N4S2/c25-19(21-15-7-3-1-4-8-15)23-17-11-13-18(14-12-17)24-
    20(26)22-16-9-5-2-6-10-16/h1-14H,(H2,21,23,25)(H2,22,24,26)/f/h21-22,
    25-26H/b23-19-,24-20-



Other Chemicals
.25