2-[3-(2,5-dimethylphenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(3-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[3-(2,5-dimethylphenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: 2-[3-(2,5-dimethylphenyl)-6-oxo-pyridazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide CAS Name: 2-[3-(2,5-dimethylphenyl)-6-oxo-1-pyridazinyl]-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-[3-(2,5-dimethylphenyl)-6-keto-pyridazin-1-yl]-N-[3-(methylthio)phenyl]acetamide Formula: C21H21N3O2S MolecularWeight: 379.47534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C=C2)CC(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C=C2)CC(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C21H21N3O2S/c1-14-7-8-15(2)18(11-14)19-9-10-21(26)24(23-19)13-20(25)22-16-5-4-6-17(12-16)27-3/h4-12H,13H2,1-3H3,(H,22,25)