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

Systemtic Name: 4-oxidanylidene-3-phenyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]phthalazine-1-carboxamide Openeye Name: 4-oxo-3-phenyl-N-[3-[2-(2-thienyl)ethynyl]phenyl]phthalazine-1-carboxamide CAS Name: 4-oxo-3-phenyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-phenyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-phenyl-N-[3-[2-(2-thienyl)ethynyl]phenyl]phthalazine-1-carboxamide Formula: C27H17N3O2S MolecularWeight: 447.50778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC=CC(=C4)C#CC5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC=CC(=C4)C#CC5=CC=CS5

InChI

InChI=1S/C27H17N3O2S/c31-26(28-20-9-6-8-19(18-20)15-16-22-12-7-17-33-22)25-23-13-4-5-14-24(23)27(32)30(29-25)21-10-2-1-3-11-21/h1-14,17-18H,(H,28,31)