4-oxidanylidene-3-phenyl-N-[2-[2,2,2-tris(fluoranyl)ethylsulfanyl]phenyl]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-phenyl-N-[2-[2,2,2-tris(fluoranyl)ethylsulfanyl]phenyl]phthalazine-1-carboxamide Openeye Name: 4-oxo-3-phenyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]phthalazine-1-carboxamide CAS Name: 4-oxo-3-phenyl-N-[2-(2,2,2-trifluoroethylthio)phenyl]-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-phenyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-phenyl-N-[2-(2,2,2-trifluoroethylthio)phenyl]phthalazine-1-carboxamide Formula: C23H16F3N3O2S MolecularWeight: 455.45225

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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=C4SCC(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC=CC=C4SCC(F)(F)F

InChI

InChI=1S/C23H16F3N3O2S/c24-23(25,26)14-32-19-13-7-6-12-18(19)27-21(30)20-16-10-4-5-11-17(16)22(31)29(28-20)15-8-2-1-3-9-15/h1-13H,14H2,(H,27,30)