N'-(2-methyl-5-nitro-phenyl)sulfonyl-4-oxidanylidene-3-pentyl-phthalazine-1-carbohydrazide

Systemtic Name: N'-(2-methyl-5-nitro-phenyl)sulfonyl-4-oxidanylidene-3-pentyl-phthalazine-1-carbohydrazide Openeye Name: N'-(2-methyl-5-nitro-phenyl)sulfonyl-4-oxo-3-pentyl-phthalazine-1-carbohydrazide CAS Name: N'-(2-methyl-5-nitrophenyl)sulfonyl-4-oxo-3-pentyl-1-phthalazinecarbohydrazide IUPAC Name: N'-(2-methyl-5-nitrophenyl)sulfonyl-4-oxo-3-pentylphthalazine-1-carbohydrazide Traditional Name: 3-amyl-4-keto-N'-(2-methyl-5-nitro-phenyl)sulfonyl-phthalazine-1-carbohydrazide Formula: C21H23N5O6S MolecularWeight: 473.50222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H23N5O6S/c1-3-4-7-12-25-21(28)17-9-6-5-8-16(17)19(23-25)20(27)22-24-33(31,32)18-13-15(26(29)30)11-10-14(18)2/h5-6,8-11,13,24H,3-4,7,12H2,1-2H3,(H,22,27)