1-(4-butan-2-ylphenyl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-ethanone

Systemtic Name: 1-(4-butan-2-ylphenyl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-ethanone Openeye Name: 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-1-(4-sec-butylphenyl)ethanone CAS Name: 1-(4-butan-2-ylphenyl)-2-[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]ethanone IUPAC Name: 1-(4-butan-2-ylphenyl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethanone Traditional Name: 2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]-1-(4-sec-butylphenyl)ethanone Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(=O)CSC2=NN=C(C=C2)N3C(=CC(=N3)C)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(=O)CSC2=NN=C(C=C2)N3C(=CC(=N3)C)C

InChI

InChI=1S/C21H24N4OS/c1-5-14(2)17-6-8-18(9-7-17)19(26)13-27-21-11-10-20(22-23-21)25-16(4)12-15(3)24-25/h6-12,14H,5,13H2,1-4H3