N-(4,5-dimethyl-2-nitro-phenyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide

Systemtic Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-acetamide CAS Name: N-(4,5-dimethyl-2-nitrophenyl)-2-[(4-phenyl-1-phthalazinyl)thio]acetamide IUPAC Name: N-(4,5-dimethyl-2-nitrophenyl)-2-(4-phenylphthalazin-1-yl)sulfanylacetamide Traditional Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-[(4-phenylphthalazin-1-yl)thio]acetamide Formula: C24H20N4O3S MolecularWeight: 444.5056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C24H20N4O3S/c1-15-12-20(21(28(30)31)13-16(15)2)25-22(29)14-32-24-19-11-7-6-10-18(19)23(26-27-24)17-8-4-3-5-9-17/h3-13H,14H2,1-2H3,(H,25,29)