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

Systemtic Name: 4-oxidanylidene-3-propan-2-yl-N-[2-[2,2,2-tris(fluoranyl)ethylsulfanyl]phenyl]phthalazine-1-carboxamide Openeye Name: 3-isopropyl-4-oxo-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]phthalazine-1-carboxamide CAS Name: 4-oxo-3-propan-2-yl-N-[2-(2,2,2-trifluoroethylthio)phenyl]-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-propan-2-yl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]phthalazine-1-carboxamide Traditional Name: 3-isopropyl-4-keto-N-[2-(2,2,2-trifluoroethylthio)phenyl]phthalazine-1-carboxamide Formula: C20H18F3N3O2S MolecularWeight: 421.43603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3SCC(F)(F)F

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3SCC(F)(F)F

InChI

InChI=1S/C20H18F3N3O2S/c1-12(2)26-19(28)14-8-4-3-7-13(14)17(25-26)18(27)24-15-9-5-6-10-16(15)29-11-20(21,22)23/h3-10,12H,11H2,1-2H3,(H,24,27)