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

Systemtic Name: 5-ethanoyl-2-ethyl-4-[(2-methylphenyl)amino]-6-(4-methylsulfinylphenyl)pyridazin-3-one Openeye Name: 5-acetyl-2-ethyl-4-(2-methylanilino)-6-(4-methylsulfinylphenyl)pyridazin-3-one CAS Name: 5-acetyl-2-ethyl-4-(2-methylanilino)-6-(4-methylsulfinylphenyl)-3-pyridazinone IUPAC Name: 5-acetyl-2-ethyl-4-(2-methylanilino)-6-(4-methylsulfinylphenyl)pyridazin-3-one Traditional Name: 5-acetyl-2-ethyl-6-(4-methylsulfinylphenyl)-4-(o-toluidino)pyridazin-3-one Formula: C22H23N3O3S MolecularWeight: 409.50132

Click to see the large picture

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=C3C

Isomeric SMILES

CCN1C(=O)C(=C(C(=N1)C2=CC=C(C=C2)S(=O)C)C(=O)C)NC3=CC=CC=C3C

InChI

InChI=1S/C22H23N3O3S/c1-5-25-22(27)21(23-18-9-7-6-8-14(18)2)19(15(3)26)20(24-25)16-10-12-17(13-11-16)29(4)28/h6-13,23H,5H2,1-4H3