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

Systemtic Name: 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-1-piperidin-1-yl-ethanone Openeye Name: 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-1-(1-piperidyl)ethanone CAS Name: 2-[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-1-piperidin-1-ylethanone Traditional Name: 2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]-1-piperidino-ethanone Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C=C2)SCC(=O)N3CCCCC3)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C=C2)SCC(=O)N3CCCCC3)C

InChI

InChI=1S/C16H21N5OS/c1-12-10-13(2)21(19-12)14-6-7-15(18-17-14)23-11-16(22)20-8-4-3-5-9-20/h6-7,10H,3-5,8-9,11H2,1-2H3