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

Systemtic Name: N'-[2-(4-nitrophenyl)sulfanylethanoyl]-4-oxidanylidene-3-propyl-phthalazine-1-carbohydrazide Openeye Name: N'-[2-(4-nitrophenyl)sulfanylacetyl]-4-oxo-3-propyl-phthalazine-1-carbohydrazide CAS Name: N'-[2-[(4-nitrophenyl)thio]-1-oxoethyl]-4-oxo-3-propyl-1-phthalazinecarbohydrazide IUPAC Name: N'-[2-(4-nitrophenyl)sulfanylacetyl]-4-oxo-3-propylphthalazine-1-carbohydrazide Traditional Name: 4-keto-N'-[2-[(4-nitrophenyl)thio]acetyl]-3-propyl-phthalazine-1-carbohydrazide Formula: C20H19N5O5S MolecularWeight: 441.46036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O5S/c1-2-11-24-20(28)16-6-4-3-5-15(16)18(23-24)19(27)22-21-17(26)12-31-14-9-7-13(8-10-14)25(29)30/h3-10H,2,11-12H2,1H3,(H,21,26)(H,22,27)