Free Chemical Databases
-
[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 344.81532 [g/mol] Molecular Formula C17H13ClN2O2S XLogP 3.9 H-Bond Donor 0 H-Bond Acceptor 3 Rotatable Bond Count 3 Tautomer Count 2 Exact Mass 344.038626 MonoIsotopic Mass 344.038626 Topological Polar Surface Area 41.9 Heavy Atom Count 23 Formal Charge 0 Complexity 523 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 1 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 3-(3-chlorophenyl)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylimidazol-
4-one
Canonical SMILES: COC1=CC=CC=C1C=C2C(=O)N(C(=N2)S)C3=CC(=CC=C3)Cl
InChI: InChI=1/C17H13ClN2O2S/c1-22-15-8-3-2-5-11(15)9-14-16(21)20(17(23)19-14)
13-7-4-6-12(18)10-13/h2-10H,1H3,(H,19,23)/f/h23H
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