5-ethanoyl-2-ethyl-6-(4-methylsulfinylphenyl)-4-[(3-nitrophenyl)amino]pyridazin-3-one

Systemtic Name: 5-ethanoyl-2-ethyl-6-(4-methylsulfinylphenyl)-4-[(3-nitrophenyl)amino]pyridazin-3-one Openeye Name: 5-acetyl-2-ethyl-6-(4-methylsulfinylphenyl)-4-(3-nitroanilino)pyridazin-3-one CAS Name: 5-acetyl-2-ethyl-6-(4-methylsulfinylphenyl)-4-(3-nitroanilino)-3-pyridazinone IUPAC Name: 5-acetyl-2-ethyl-6-(4-methylsulfinylphenyl)-4-(3-nitroanilino)pyridazin-3-one Traditional Name: 5-acetyl-2-ethyl-6-(4-methylsulfinylphenyl)-4-(3-nitroanilino)pyridazin-3-one Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(C(=N1)C2=CC=C(C=C2)S(=O)C)C(=O)C)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=O)C(=C(C(=N1)C2=CC=C(C=C2)S(=O)C)C(=O)C)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5S/c1-4-24-21(27)20(22-15-6-5-7-16(12-15)25(28)29)18(13(2)26)19(23-24)14-8-10-17(11-9-14)31(3)30/h5-12,22H,4H2,1-3H3