1-phenyl-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanyl-ethanone

Systemtic Name: 1-phenyl-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanyl-ethanone Openeye Name: 1-phenyl-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanyl-ethanone CAS Name: 1-phenyl-2-[[6-(2,4,5-trimethylphenyl)-3-pyridazinyl]thio]ethanone IUPAC Name: 1-phenyl-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylethanone Traditional Name: 1-phenyl-2-[[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]thio]ethanone Formula: C21H20N2OS MolecularWeight: 348.4613

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=NN=C(C=C2)SCC(=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=NN=C(C=C2)SCC(=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C21H20N2OS/c1-14-11-16(3)18(12-15(14)2)19-9-10-21(23-22-19)25-13-20(24)17-7-5-4-6-8-17/h4-12H,13H2,1-3H3