2-ethyl-1-[2-methyl-4-[2-(6-phenylpyridazin-3-yl)sulfanylethanoyl]piperazin-1-yl]hexan-1-one

Systemtic Name: 2-ethyl-1-[2-methyl-4-[2-(6-phenylpyridazin-3-yl)sulfanylethanoyl]piperazin-1-yl]hexan-1-one Openeye Name: 2-ethyl-1-[2-methyl-4-[2-(6-phenylpyridazin-3-yl)sulfanylacetyl]piperazin-1-yl]hexan-1-one CAS Name: 2-ethyl-1-[2-methyl-4-[1-oxo-2-[(6-phenyl-3-pyridazinyl)thio]ethyl]-1-piperazinyl]-1-hexanone IUPAC Name: 2-ethyl-1-[2-methyl-4-[2-(6-phenylpyridazin-3-yl)sulfanylacetyl]piperazin-1-yl]hexan-1-one Traditional Name: 2-ethyl-1-[2-methyl-4-[2-[(6-phenylpyridazin-3-yl)thio]acetyl]piperazino]hexan-1-one Formula: C25H34N4O2S MolecularWeight: 454.62806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1CCN(CC1C)C(=O)CSC2=NN=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCC(CC)C(=O)N1CCN(CC1C)C(=O)CSC2=NN=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H34N4O2S/c1-4-6-10-20(5-2)25(31)29-16-15-28(17-19(29)3)24(30)18-32-23-14-13-22(26-27-23)21-11-8-7-9-12-21/h7-9,11-14,19-20H,4-6,10,15-18H2,1-3H3