5-ethanoyl-2-ethyl-4-[(3-methylsulfanylphenyl)amino]-6-phenyl-pyridazin-3-one

Systemtic Name: 5-ethanoyl-2-ethyl-4-[(3-methylsulfanylphenyl)amino]-6-phenyl-pyridazin-3-one Openeye Name: 5-acetyl-2-ethyl-4-(3-methylsulfanylanilino)-6-phenyl-pyridazin-3-one CAS Name: 5-acetyl-2-ethyl-4-[3-(methylthio)anilino]-6-phenyl-3-pyridazinone IUPAC Name: 5-acetyl-2-ethyl-4-(3-methylsulfanylanilino)-6-phenylpyridazin-3-one Traditional Name: 5-acetyl-2-ethyl-4-[3-(methylthio)anilino]-6-phenyl-pyridazin-3-one Formula: C21H21N3O2S MolecularWeight: 379.47534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)C)NC3=CC(=CC=C3)SC

Isomeric SMILES

CCN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)C)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C21H21N3O2S/c1-4-24-21(26)20(22-16-11-8-12-17(13-16)27-3)18(14(2)25)19(23-24)15-9-6-5-7-10-15/h5-13,22H,4H2,1-3H3