5-chloranyl-2-methyl-4-(2-phenylethynyl)pyridazin-3-one

Systemtic Name: 5-chloranyl-2-methyl-4-(2-phenylethynyl)pyridazin-3-one Openeye Name: 5-chloro-2-methyl-4-(2-phenylethynyl)pyridazin-3-one CAS Name: 5-chloro-2-methyl-4-(2-phenylethynyl)-3-pyridazinone IUPAC Name: 5-chloro-2-methyl-4-(2-phenylethynyl)pyridazin-3-one Traditional Name: 5-chloro-2-methyl-4-(2-phenylethynyl)pyridazin-3-one Formula: C13H9ClN2O MolecularWeight: 244.67636

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(C=N1)Cl)C#CC2=CC=CC=C2

Isomeric SMILES

CN1C(=O)C(=C(C=N1)Cl)C#CC2=CC=CC=C2

InChI

InChI=1S/C13H9ClN2O/c1-16-13(17)11(12(14)9-15-16)8-7-10-5-3-2-4-6-10/h2-6,9H,1H3