N'-[2-[bis(fluoranyl)methylsulfanyl]pyridin-3-yl]carbonyl-4-oxidanylidene-3-pentyl-phthalazine-1-carbohydrazide

Systemtic Name: N'-[2-[bis(fluoranyl)methylsulfanyl]pyridin-3-yl]carbonyl-4-oxidanylidene-3-pentyl-phthalazine-1-carbohydrazide Openeye Name: N'-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]-4-oxo-3-pentyl-phthalazine-1-carbohydrazide CAS Name: N'-[[2-(difluoromethylthio)-3-pyridinyl]-oxomethyl]-4-oxo-3-pentyl-1-phthalazinecarbohydrazide IUPAC Name: N'-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide Traditional Name: 3-amyl-N'-[2-(difluoromethylthio)nicotinoyl]-4-keto-phthalazine-1-carbohydrazide Formula: C21H21F2N5O3S MolecularWeight: 461.484946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21F2N5O3S/c1-2-3-6-12-28-20(31)14-9-5-4-8-13(14)16(27-28)18(30)26-25-17(29)15-10-7-11-24-19(15)32-21(22)23/h4-5,7-11,21H,2-3,6,12H2,1H3,(H,25,29)(H,26,30)