3-ethyl-4-oxidanylidene-N-[3-(2-thiophen-2-ylethynyl)phenyl]phthalazine-1-carboxamide

Systemtic Name: 3-ethyl-4-oxidanylidene-N-[3-(2-thiophen-2-ylethynyl)phenyl]phthalazine-1-carboxamide Openeye Name: 3-ethyl-4-oxo-N-[3-[2-(2-thienyl)ethynyl]phenyl]phthalazine-1-carboxamide CAS Name: 3-ethyl-4-oxo-N-[3-(2-thiophen-2-ylethynyl)phenyl]-1-phthalazinecarboxamide IUPAC Name: 3-ethyl-4-oxo-N-[3-(2-thiophen-2-ylethynyl)phenyl]phthalazine-1-carboxamide Traditional Name: 3-ethyl-4-keto-N-[3-[2-(2-thienyl)ethynyl]phenyl]phthalazine-1-carboxamide Formula: C23H17N3O2S MolecularWeight: 399.46498

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

InChI

InChI=1S/C23H17N3O2S/c1-2-26-23(28)20-11-4-3-10-19(20)21(25-26)22(27)24-17-8-5-7-16(15-17)12-13-18-9-6-14-29-18/h3-11,14-15H,2H2,1H3,(H,24,27)