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

Systemtic Name: 1-(azepan-1-yl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]ethanone Formula: C17H23N5OS MolecularWeight: 345.46242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C=C2)SCC(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C=C2)SCC(=O)N3CCCCCC3)C

InChI

InChI=1S/C17H23N5OS/c1-13-11-14(2)22(20-13)15-7-8-16(19-18-15)24-12-17(23)21-9-5-3-4-6-10-21/h7-8,11H,3-6,9-10,12H2,1-2H3