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

Systemtic Name: 2-(2-chloranyl-5-methyl-phenoxy)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone Openeye Name: 2-(2-chloro-5-methyl-phenoxy)-1-[4-[6-(2-thienyl)pyridazin-3-yl]piperazin-1-yl]ethanone CAS Name: 2-(2-chloro-5-methylphenoxy)-1-[4-(6-thiophen-2-yl-3-pyridazinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2-chloro-5-methylphenoxy)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone Traditional Name: 2-(2-chloro-5-methyl-phenoxy)-1-[4-[6-(2-thienyl)pyridazin-3-yl]piperazino]ethanone Formula: C21H21ClN4O2S MolecularWeight: 428.93504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OCC(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OCC(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CC=CS4

InChI

InChI=1S/C21H21ClN4O2S/c1-15-4-5-16(22)18(13-15)28-14-21(27)26-10-8-25(9-11-26)20-7-6-17(23-24-20)19-3-2-12-29-19/h2-7,12-13H,8-11,14H2,1H3