N'-[(5-nitro-1-benzothiophen-2-yl)carbonyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carbohydrazide

Systemtic Name: N'-[(5-nitro-1-benzothiophen-2-yl)carbonyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carbohydrazide Openeye Name: N'-(5-nitrobenzothiophene-2-carbonyl)-4-oxo-3-pentyl-phthalazine-1-carbohydrazide CAS Name: N'-[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]-4-oxo-3-pentyl-1-phthalazinecarbohydrazide IUPAC Name: N'-(5-nitro-1-benzothiophene-2-carbonyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide Traditional Name: 3-amyl-4-keto-N'-(5-nitrobenzothiophene-2-carbonyl)phthalazine-1-carbohydrazide Formula: C23H21N5O5S MolecularWeight: 479.50834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H21N5O5S/c1-2-3-6-11-27-23(31)17-8-5-4-7-16(17)20(26-27)22(30)25-24-21(29)19-13-14-12-15(28(32)33)9-10-18(14)34-19/h4-5,7-10,12-13H,2-3,6,11H2,1H3,(H,24,29)(H,25,30)