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

Systemtic Name: 1-(azocan-1-yl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-ethanone Openeye Name: 1-(azocan-1-yl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-ethanone CAS Name: 1-(1-azocanyl)-2-[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]ethanone IUPAC Name: 1-(azocan-1-yl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethanone Traditional Name: 1-(azocan-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]ethanone Formula: C18H25N5OS MolecularWeight: 359.489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C=C2)SCC(=O)N3CCCCCCC3)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C=C2)SCC(=O)N3CCCCCCC3)C

InChI

InChI=1S/C18H25N5OS/c1-14-12-15(2)23(21-14)16-8-9-17(20-19-16)25-13-18(24)22-10-6-4-3-5-7-11-22/h8-9,12H,3-7,10-11,13H2,1-2H3