N-(3-nitrophenyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-nitrophenyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: N-(3-nitrophenyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-acetamide CAS Name: N-(3-nitrophenyl)-2-[(4-phenyl-1-phthalazinyl)thio]acetamide IUPAC Name: N-(3-nitrophenyl)-2-(4-phenylphthalazin-1-yl)sulfanylacetamide Traditional Name: N-(3-nitrophenyl)-2-[(4-phenylphthalazin-1-yl)thio]acetamide Formula: C22H16N4O3S MolecularWeight: 416.45244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O3S/c27-20(23-16-9-6-10-17(13-16)26(28)29)14-30-22-19-12-5-4-11-18(19)21(24-25-22)15-7-2-1-3-8-15/h1-13H,14H2,(H,23,27)