1-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-3-phenylsulfanyl-propan-1-one

Systemtic Name: 1-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-3-phenylsulfanyl-propan-1-one Openeye Name: 1-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-3-phenylsulfanyl-propan-1-one CAS Name: 1-[4-[6-(4-ethoxyphenyl)-3-pyridazinyl]-1-piperazinyl]-3-(phenylthio)-1-propanone IUPAC Name: 1-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-3-phenylsulfanylpropan-1-one Traditional Name: 3-(phenylthio)-1-[4-(6-p-phenetylpyridazin-3-yl)piperazino]propan-1-one 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)CCSC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)CCSC4=CC=CC=C4

InChI

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