1-[4-(1,3-benzodioxol-5-ylcarbonyl)-3-methyl-piperazin-1-yl]-2-(6-phenylpyridazin-3-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylcarbonyl)-3-methyl-piperazin-1-yl]-2-(6-phenylpyridazin-3-yl)sulfanyl-ethanone Openeye Name: 1-[4-(1,3-benzodioxole-5-carbonyl)-3-methyl-piperazin-1-yl]-2-(6-phenylpyridazin-3-yl)sulfanyl-ethanone CAS Name: 1-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-3-methyl-1-piperazinyl]-2-[(6-phenyl-3-pyridazinyl)thio]ethanone IUPAC Name: 1-[4-(1,3-benzodioxole-5-carbonyl)-3-methylpiperazin-1-yl]-2-(6-phenylpyridazin-3-yl)sulfanylethanone Traditional Name: 1-(3-methyl-4-piperonyloyl-piperazino)-2-[(6-phenylpyridazin-3-yl)thio]ethanone Formula: C25H24N4O4S MolecularWeight: 476.54746

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC3=C(C=C2)OCO3)C(=O)CSC4=NN=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC3=C(C=C2)OCO3)C(=O)CSC4=NN=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H24N4O4S/c1-17-14-28(11-12-29(17)25(31)19-7-9-21-22(13-19)33-16-32-21)24(30)15-34-23-10-8-20(26-27-23)18-5-3-2-4-6-18/h2-10,13,17H,11-12,14-16H2,1H3