1-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-(phenylmethylsulfanyl)ethanone

Systemtic Name: 1-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-(phenylmethylsulfanyl)ethanone Openeye Name: 2-benzylsulfanyl-1-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[6-(4-ethoxyphenyl)-3-pyridazinyl]-1-piperazinyl]-2-(phenylmethylthio)ethanone IUPAC Name: 2-benzylsulfanyl-1-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]ethanone Traditional Name: 2-(benzylthio)-1-[4-(6-p-phenetylpyridazin-3-yl)piperazino]ethanone Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)CSCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)CSCC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O2S/c1-2-31-22-10-8-21(9-11-22)23-12-13-24(27-26-23)28-14-16-29(17-15-28)25(30)19-32-18-20-6-4-3-5-7-20/h3-13H,2,14-19H2,1H3