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(Z)-2-(4-chlorophenyl)sulfonyl-3-(4-diethylaminophenyl)prop-2-enenitr

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摘 要: (Z)-2-(4-chlorophenyl)sulfonyl-3-(4-diethylaminophenyl)prop-2-enenitrile,Canonical SMILES: CCN(CC)C1=CC=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)Cl,Isomeric SMILES: CCN(CC)C1=CC=C(C=C1)\C=C(\C#N)/S(=O)(=O)C2=CC=C(C=C2)Cl,InChI: InChI=1/C19H19ClN2O2S/c1-
[Synonyms]

[Structure]
 (Z)-2-(4-chlorophenyl)sulfonyl-3-(4-diethylaminophenyl)prop-2-enenitr

[ Properties Computed from Structure]
Molecular Weight374.88436 [g/mol]
Molecular FormulaC19H19ClN2O2S
XLogP4.6
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count6
Exact Mass374.085576
MonoIsotopic Mass374.085576
Topological Polar Surface Area61.2
Heavy Atom Count25
Formal Charge0
Complexity597
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count1
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (Z)-2-(4-chlorophenyl)sulfonyl-3-(4-diethylaminophenyl)prop-2-enenitrile
Canonical SMILES: CCN(CC)C1=CC=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)Cl
Isomeric SMILES: CCN(CC)C1=CC=C(C=C1)\C=C(\C#N)/S(=O)(=O)C2=CC=C(C=C2)Cl
InChI: InChI=1/C19H19ClN2O2S/c1-3-22(4-2)17-9-5-15(6-10-17)13-19(14-21)25(23,
24)18-11-7-16(20)8-12-18/h5-13H,3-4H2,1-2H3/b19-13-

 
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