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ZINC03274999,T0506-4699, 2-(2-chlorophenyl)sulfanyl-N-(2-cyanophenyl)a

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摘 要:ZINC03274999,T0506-4699, 2-(2-chlorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide,Canonical SMILES: C1=CC=C(C(=C1)C#N)NC(=O)CSC2=CC=CC=C2Cl,InChI: InChI=1/C15H11ClN2OS/c16-12-6-2-4-8-14(12)20-10-15(19)18-13-7-3-1-5-11,(13)9-17/h1-8H,10H2,(H,18,19)/f/h18
[Synonyms]
ZINC03274999
T0506-4699

[Structure]
ZINC03274999,T0506-4699, 2-(2-chlorophenyl)sulfanyl-N-(2-cyanophenyl)a

[ Properties Computed from Structure]
Molecular Weight302.77864 [g/mol]
Molecular FormulaC15H11ClN2OS
XLogP4
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count4
Tautomer Count2
Exact Mass302.028061
MonoIsotopic Mass302.028061
Topological Polar Surface Area52.9
Heavy Atom Count20
Formal Charge0
Complexity381
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: 2-(2-chlorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide
Canonical SMILES: C1=CC=C(C(=C1)C#N)NC(=O)CSC2=CC=CC=C2Cl
InChI: InChI=1/C15H11ClN2OS/c16-12-6-2-4-8-14(12)20-10-15(19)18-13-7-3-1-5-11
(13)9-17/h1-8H,10H2,(H,18,19)/f/h18H

 
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