4-oxidanylidene-3-pentyl-N'-[3-(trifluoromethyl)phenyl]sulfonyl-phthalazine-1-carbohydrazide

Systemtic Name: 4-oxidanylidene-3-pentyl-N'-[3-(trifluoromethyl)phenyl]sulfonyl-phthalazine-1-carbohydrazide Openeye Name: 4-oxo-3-pentyl-N'-[3-(trifluoromethyl)phenyl]sulfonyl-phthalazine-1-carbohydrazide CAS Name: 4-oxo-3-pentyl-N'-[3-(trifluoromethyl)phenyl]sulfonyl-1-phthalazinecarbohydrazide IUPAC Name: 4-oxo-3-pentyl-N'-[3-(trifluoromethyl)phenyl]sulfonylphthalazine-1-carbohydrazide Traditional Name: 3-amyl-4-keto-N'-[3-(trifluoromethyl)phenyl]sulfonyl-phthalazine-1-carbohydrazide Formula: C21H21F3N4O4S MolecularWeight: 482.47605

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21F3N4O4S/c1-2-3-6-12-28-20(30)17-11-5-4-10-16(17)18(26-28)19(29)25-27-33(31,32)15-9-7-8-14(13-15)21(22,23)24/h4-5,7-11,13,27H,2-3,6,12H2,1H3,(H,25,29)