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MLS000336172,SMR000253726, 2-thiophen-2-yl-N-(thiophen-3-ylmethylidene

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摘 要:MLS000336172,SMR000253726, 2-thiophen-2-yl-N-(thiophen-3-ylmethylideneamino)quinoline-4-carboxamide,Canonical SMILES: C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NN=CC4=CSC=C4,InChI: InChI=1/C19H13N3OS2/c23-19(22-20-11-13-7-9-24-12-13)15-10-17(18-6-3-8-,2
[Synonyms]
MLS000336172
SMR000253726

[Structure]
MLS000336172,SMR000253726, 2-thiophen-2-yl-N-(thiophen-3-ylmethylidene

[ Properties Computed from Structure]
Molecular Weight363.45602 [g/mol]
Molecular FormulaC19H13N3OS2
XLogP4.5
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count4
Tautomer Count2
Exact Mass363.050003
MonoIsotopic Mass363.050003
Topological Polar Surface Area54.4
Heavy Atom Count25
Formal Charge0
Complexity501
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count1
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2-thiophen-2-yl-N-(thiophen-3-ylmethylideneamino)quinoline-4-carboxamide
Canonical SMILES: C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NN=CC4=CSC=C4
InChI: InChI=1/C19H13N3OS2/c23-19(22-20-11-13-7-9-24-12-13)15-10-17(18-6-3-8-
25-18)21-16-5-2-1-4-14(15)16/h1-12H,(H,22,23)/f/h22H

 
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