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

Systemtic Name: 4-oxidanylidene-3-pentyl-N'-[4-(trifluoromethyl)phenyl]sulfonyl-phthalazine-1-carbohydrazide Openeye Name: 4-oxo-3-pentyl-N'-[4-(trifluoromethyl)phenyl]sulfonyl-phthalazine-1-carbohydrazide CAS Name: 4-oxo-3-pentyl-N'-[4-(trifluoromethyl)phenyl]sulfonyl-1-phthalazinecarbohydrazide IUPAC Name: 4-oxo-3-pentyl-N'-[4-(trifluoromethyl)phenyl]sulfonylphthalazine-1-carbohydrazide Traditional Name: 3-amyl-4-keto-N'-[4-(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=C(C=C3)C(F)(F)F

Isomeric SMILES

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

InChI

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