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

Systemtic Name: N-[2-[bis(fluoranyl)methylsulfanyl]phenyl]-3-butyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[2-(difluoromethylsulfanyl)phenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[2-(difluoromethylthio)phenyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[2-(difluoromethylsulfanyl)phenyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-[2-(difluoromethylthio)phenyl]-4-keto-phthalazine-1-carboxamide Formula: C20H19F2N3O2S MolecularWeight: 403.445566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3SC(F)F

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3SC(F)F

InChI

InChI=1S/C20H19F2N3O2S/c1-2-3-12-25-19(27)14-9-5-4-8-13(14)17(24-25)18(26)23-15-10-6-7-11-16(15)28-20(21)22/h4-11,20H,2-3,12H2,1H3,(H,23,26)