N-[2-[bis(fluoranyl)methylsulfanyl]phenyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[2-[bis(fluoranyl)methylsulfanyl]phenyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[2-(difluoromethylsulfanyl)phenyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[2-(difluoromethylthio)phenyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[2-(difluoromethylsulfanyl)phenyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-[2-(difluoromethylthio)phenyl]-4-keto-phthalazine-1-carboxamide Formula: C21H21F2N3O2S MolecularWeight: 417.472146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3SC(F)F

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3SC(F)F

InChI

InChI=1S/C21H21F2N3O2S/c1-2-3-8-13-26-20(28)15-10-5-4-9-14(15)18(25-26)19(27)24-16-11-6-7-12-17(16)29-21(22)23/h4-7,9-12,21H,2-3,8,13H2,1H3,(H,24,27)