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

Systemtic Name: N'-[(5-nitro-1-benzothiophen-2-yl)carbonyl]-4-oxidanylidene-3H-phthalazine-1-carbohydrazide Openeye Name: N'-(5-nitrobenzothiophene-2-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide CAS Name: N'-[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]-4-oxo-3H-phthalazine-1-carbohydrazide IUPAC Name: N'-(5-nitro-1-benzothiophene-2-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide Traditional Name: 4-keto-N'-(5-nitrobenzothiophene-2-carbonyl)-3H-phthalazine-1-carbohydrazide Formula: C18H11N5O5S MolecularWeight: 409.37544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H11N5O5S/c24-16-12-4-2-1-3-11(12)15(19-20-16)18(26)22-21-17(25)14-8-9-7-10(23(27)28)5-6-13(9)29-14/h1-8H,(H,20,24)(H,21,25)(H,22,26)