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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]ethanone Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C=C2)SCC(=O)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C=C2)SCC(=O)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C18H16N4O3S/c1-11-7-12(2)22(21-11)17-5-6-18(20-19-17)26-9-14(23)13-3-4-15-16(8-13)25-10-24-15/h3-8H,9-10H2,1-2H3