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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC(C)C)C(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1C(=O)CC(C)C)C(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H32N4O2S/c1-20(2)17-27(33)32-16-15-31(18-21(32)3)28(34)19-35-26-14-13-25(29-30-26)24-11-9-23(10-12-24)22-7-5-4-6-8-22/h4-14,20-21H,15-19H2,1-3H3