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(5Z)-5-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-(phenylmeth

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摘 要: (5Z)-5-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-(phenylmethyl),-2-sulfanylidene-1,3-thiazolidin-4-one,Canonical SMILES: COC1=C(C=C(C(=C1)C=C2C(=O)N(C(=S)S2)CC3=CC=CC=C3)Br)O,Isomeric SMILES: COC1=C(C=C(C(=C1)\C=C/2\C(=O)N(C(=S)S2)CC3=CC=CC
[Synonyms]

[Structure]
 (5Z)-5-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-(phenylmeth

[ Properties Computed from Structure]
Molecular Weight436.34266 [g/mol]
Molecular FormulaC18H14BrNO3S2
XLogP3.8
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count4
Tautomer Count3
Exact Mass434.959847
MonoIsotopic Mass434.959847
Topological Polar Surface Area49.8
Heavy Atom Count25
Formal Charge0
Complexity550
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: (5Z)-5-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-(phenylmethyl)
-2-sulfanylidene-1,3-thiazolidin-4-one
Canonical SMILES: COC1=C(C=C(C(=C1)C=C2C(=O)N(C(=S)S2)CC3=CC=CC=C3)Br)O
Isomeric SMILES: COC1=C(C=C(C(=C1)\C=C/2\C(=O)N(C(=S)S2)CC3=CC=CC=C3)Br)O
InChI: InChI=1/C18H14BrNO3S2/c1-23-15-7-12(13(19)9-14(15)21)8-16-17(22)20(18
(24)25-16)10-11-5-3-2-4-6-11/h2-9,21H,10H2,1H3/b16-8-

 
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