N'-[2-(4-nitrophenyl)sulfanylethanoyl]-4-oxidanylidene-3H-phthalazine-1-carbohydrazide

Systemtic Name: N'-[2-(4-nitrophenyl)sulfanylethanoyl]-4-oxidanylidene-3H-phthalazine-1-carbohydrazide Openeye Name: N'-[2-(4-nitrophenyl)sulfanylacetyl]-4-oxo-3H-phthalazine-1-carbohydrazide CAS Name: N'-[2-[(4-nitrophenyl)thio]-1-oxoethyl]-4-oxo-3H-phthalazine-1-carbohydrazide IUPAC Name: N'-[2-(4-nitrophenyl)sulfanylacetyl]-4-oxo-3H-phthalazine-1-carbohydrazide Traditional Name: 4-keto-N'-[2-[(4-nitrophenyl)thio]acetyl]-3H-phthalazine-1-carbohydrazide Formula: C17H13N5O5S MolecularWeight: 399.38062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NNC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NNC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N5O5S/c23-14(9-28-11-7-5-10(6-8-11)22(26)27)18-21-17(25)15-12-3-1-2-4-13(12)16(24)20-19-15/h1-8H,9H2,(H,18,23)(H,20,24)(H,21,25)