1-[2-methyl-4-[2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylethanoyl]piperazin-1-yl]pentan-1-one

Systemtic Name: 1-[2-methyl-4-[2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylethanoyl]piperazin-1-yl]pentan-1-one Openeye Name: 1-[2-methyl-4-[2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetyl]piperazin-1-yl]pentan-1-one CAS Name: 1-[2-methyl-4-[1-oxo-2-[[6-(4-phenylphenyl)-3-pyridazinyl]thio]ethyl]-1-piperazinyl]-1-pentanone IUPAC Name: 1-[2-methyl-4-[2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetyl]piperazin-1-yl]pentan-1-one Traditional Name: 1-[2-methyl-4-[2-[[6-(4-phenylphenyl)pyridazin-3-yl]thio]acetyl]piperazino]pentan-1-one Formula: C28H32N4O2S MolecularWeight: 488.64428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CCN(CC1C)C(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCC(=O)N1CCN(CC1C)C(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H32N4O2S/c1-3-4-10-27(33)32-18-17-31(19-21(32)2)28(34)20-35-26-16-15-25(29-30-26)24-13-11-23(12-14-24)22-8-6-5-7-9-22/h5-9,11-16,21H,3-4,10,17-20H2,1-2H3