N'-[4-[bis(fluoranyl)methylsulfanyl]phenyl]carbonyl-4-oxidanylidene-3-pentyl-phthalazine-1-carbohydrazide

Systemtic Name: N'-[4-[bis(fluoranyl)methylsulfanyl]phenyl]carbonyl-4-oxidanylidene-3-pentyl-phthalazine-1-carbohydrazide Openeye Name: N'-[4-(difluoromethylsulfanyl)benzoyl]-4-oxo-3-pentyl-phthalazine-1-carbohydrazide CAS Name: N'-[[4-(difluoromethylthio)phenyl]-oxomethyl]-4-oxo-3-pentyl-1-phthalazinecarbohydrazide IUPAC Name: N'-[4-(difluoromethylsulfanyl)benzoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide Traditional Name: 3-amyl-N'-[4-(difluoromethylthio)benzoyl]-4-keto-phthalazine-1-carbohydrazide Formula: C22H22F2N4O3S MolecularWeight: 460.496886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC=C(C=C3)SC(F)F

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC=C(C=C3)SC(F)F

InChI

InChI=1S/C22H22F2N4O3S/c1-2-3-6-13-28-21(31)17-8-5-4-7-16(17)18(27-28)20(30)26-25-19(29)14-9-11-15(12-10-14)32-22(23)24/h4-5,7-12,22H,2-3,6,13H2,1H3,(H,25,29)(H,26,30)