6-[[3-(2-thiophen-2-ylethynyl)phenyl]carbamoyl]pyridazin-3-olate

Systemtic Name: 6-[[3-(2-thiophen-2-ylethynyl)phenyl]carbamoyl]pyridazin-3-olate Openeye Name: 6-[[3-[2-(2-thienyl)ethynyl]phenyl]carbamoyl]pyridazin-3-olate CAS Name: 6-[oxo-[3-(2-thiophen-2-ylethynyl)anilino]methyl]-3-pyridazinolate IUPAC Name: 6-[[3-(2-thiophen-2-ylethynyl)phenyl]carbamoyl]pyridazin-3-olate Traditional Name: 6-[[3-[2-(2-thienyl)ethynyl]phenyl]carbamoyl]pyridazin-3-olate Formula: C17H10N3O2S- MolecularWeight: 320.3452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=NN=C(C=C2)[O-])C#CC3=CC=CS3

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=NN=C(C=C2)[O-])C#CC3=CC=CS3

InChI

InChI=1S/C17H11N3O2S/c21-16-9-8-15(19-20-16)17(22)18-13-4-1-3-12(11-13)6-7-14-5-2-10-23-14/h1-5,8-11H,(H,18,22)(H,20,21)/p-1