2-(4-oxidanylidene-3H-phthalazin-1-yl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]ethanamide

Systemtic Name: 2-(4-oxidanylidene-3H-phthalazin-1-yl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]ethanamide Openeye Name: 2-(4-oxo-3H-phthalazin-1-yl)-N-[3-[2-(2-thienyl)ethynyl]phenyl]acetamide CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]acetamide IUPAC Name: 2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]acetamide Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)-N-[3-[2-(2-thienyl)ethynyl]phenyl]acetamide Formula: C22H15N3O2S MolecularWeight: 385.4384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

InChI

InChI=1S/C22H15N3O2S/c26-21(14-20-18-8-1-2-9-19(18)22(27)25-24-20)23-16-6-3-5-15(13-16)10-11-17-7-4-12-28-17/h1-9,12-13H,14H2,(H,23,26)(H,25,27)