2-(4-chloranyl-3,5-dimethyl-phenoxy)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-phenoxy)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone Openeye Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-1-[4-[6-(2-thienyl)pyridazin-3-yl]piperazin-1-yl]ethanone CAS Name: 2-(4-chloro-3,5-dimethylphenoxy)-1-[4-(6-thiophen-2-yl-3-pyridazinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-chloro-3,5-dimethylphenoxy)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone Traditional Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-1-[4-[6-(2-thienyl)pyridazin-3-yl]piperazino]ethanone Formula: C22H23ClN4O2S MolecularWeight: 442.96162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CC=CS4

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CC=CS4

InChI

InChI=1S/C22H23ClN4O2S/c1-15-12-17(13-16(2)22(15)23)29-14-21(28)27-9-7-26(8-10-27)20-6-5-18(24-25-20)19-4-3-11-30-19/h3-6,11-13H,7-10,14H2,1-2H3