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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NN=C(C=C2)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NN=C(C=C2)C3=C(C=CC(=C3)C)C

InChI

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