N-(2-bromanyl-4-nitro-phenyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-acetamide CAS Name: N-(2-bromo-4-nitrophenyl)-2-[(4-phenyl-1-phthalazinyl)thio]acetamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-2-(4-phenylphthalazin-1-yl)sulfanylacetamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-2-[(4-phenylphthalazin-1-yl)thio]acetamide Formula: C22H15BrN4O3S MolecularWeight: 495.3485

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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=C(C=C(C=C4)[N+](=O)[O-])Br

Isomeric SMILES

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

InChI

InChI=1S/C22H15BrN4O3S/c23-18-12-15(27(29)30)10-11-19(18)24-20(28)13-31-22-17-9-5-4-8-16(17)21(25-26-22)14-6-2-1-3-7-14/h1-12H,13H2,(H,24,28)