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N'-[(1-methyl-9H-carbazol-2-yl)methylideneamino]-1-,sulfanylmethanimi

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摘 要: N'-[(1-methyl-9H-carbazol-2-yl)methylideneamino]-1-,sulfanylmethanimidamide,Canonical SMILES: CC1=C(C=CC2=C1NC3=CC=CC=C23)C=NN=C(N)S,InChI: InChI=1/C15H14N4S/c1-9-10(8-17-19-15(16)20)6-7-12-11-4-2-3-5-13(11)18-14,(9)12/h2-8,18H,1H3,(H3,16,19,20)/f/h
[Synonyms]

[Structure]
 N'-[(1-methyl-9H-carbazol-2-yl)methylideneamino]-1-,sulfanylmethanimi

[ Properties Computed from Structure]
Molecular Weight282.36346 [g/mol]
Molecular FormulaC15H14N4S
XLogP4.4
H-Bond Donor2
H-Bond Acceptor4
Rotatable Bond Count2
Tautomer Count6
Exact Mass282.093917
MonoIsotopic Mass282.093917
Topological Polar Surface Area66.5
Heavy Atom Count20
Formal Charge0
Complexity409
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: N'-[(1-methyl-9H-carbazol-2-yl)methylideneamino]-1-
sulfanylmethanimidamide
Canonical SMILES: CC1=C(C=CC2=C1NC3=CC=CC=C23)C=NN=C(N)S
InChI: InChI=1/C15H14N4S/c1-9-10(8-17-19-15(16)20)6-7-12-11-4-2-3-5-13(11)18-14
(9)12/h2-8,18H,1H3,(H3,16,19,20)/f/h20H,16H2

 
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