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(2Z)-2-(3-methyl-1,,3-benzothiazol-2-ylidene)-1-naphthalen-1-ylethane

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摘 要: (2Z)-2-(3-methyl-1,,3-benzothiazol-2-ylidene)-1-naphthalen-1-ylethanethione,Canonical SMILES: CN1C2=CC=CC=C2SC1=CC(=S)C3=CC=CC4=CC=CC=C43,Isomeric SMILES: CN\1C2=CC=CC=C2S/C1=C\C(=S)C3=CC=CC4=CC=CC=C43,InChI: InChI=1/C20H15NS2/c1-21-17-11-4-5-12-19(
[Synonyms]

[Structure]
 (2Z)-2-(3-methyl-1,,3-benzothiazol-2-ylidene)-1-naphthalen-1-ylethane

[ Properties Computed from Structure]
Molecular Weight333.4698 [g/mol]
Molecular FormulaC20H15NS2
XLogP5.8
H-Bond Donor0
H-Bond Acceptor1
Rotatable Bond Count2
Exact Mass333.064591
MonoIsotopic Mass333.064591
Topological Polar Surface Area3.2
Heavy Atom Count23
Formal Charge0
Complexity486
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: (2Z)-2-(3-methyl-1,
3-benzothiazol-2-ylidene)-1-naphthalen-1-ylethanethione
Canonical SMILES: CN1C2=CC=CC=C2SC1=CC(=S)C3=CC=CC4=CC=CC=C43
Isomeric SMILES: CN\1C2=CC=CC=C2S/C1=C\C(=S)C3=CC=CC4=CC=CC=C43
InChI: InChI=1/C20H15NS2/c1-21-17-11-4-5-12-19(17)23-20(21)13-18(22)16-10-6-8-
14-7-2-3-9-15(14)16/h2-13H,1H3/b20-13-

 
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