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

Systemtic Name: 1-(azepan-1-yl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[6-[4-methyl-2-(2-thienyl)thiazol-5-yl]pyridazin-3-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[6-(4-methyl-2-thiophen-2-yl-5-thiazolyl)-3-pyridazinyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[6-[4-methyl-2-(2-thienyl)thiazol-5-yl]pyridazin-3-yl]thio]ethanone Formula: C20H22N4OS3 MolecularWeight: 430.60988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CS2)C3=NN=C(C=C3)SCC(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CS2)C3=NN=C(C=C3)SCC(=O)N4CCCCCC4

InChI

InChI=1S/C20H22N4OS3/c1-14-19(28-20(21-14)16-7-6-12-26-16)15-8-9-17(23-22-15)27-13-18(25)24-10-4-2-3-5-11-24/h6-9,12H,2-5,10-11,13H2,1H3