1-(azepan-1-yl)-2-[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[6-(4-methyl-2-phenyl-thiazol-5-yl)pyridazin-3-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[6-(4-methyl-2-phenyl-5-thiazolyl)-3-pyridazinyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[6-(4-methyl-2-phenyl-thiazol-5-yl)pyridazin-3-yl]thio]ethanone Formula: C22H24N4OS2 MolecularWeight: 424.58216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=C2)C3=NN=C(C=C3)SCC(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=C2)C3=NN=C(C=C3)SCC(=O)N4CCCCCC4

InChI

InChI=1S/C22H24N4OS2/c1-16-21(29-22(23-16)17-9-5-4-6-10-17)18-11-12-19(25-24-18)28-15-20(27)26-13-7-2-3-8-14-26/h4-6,9-12H,2-3,7-8,13-15H2,1H3