3,3-dimethyl-1-[2-methyl-4-[2-(6-phenylpyridazin-3-yl)sulfanylethanoyl]piperazin-1-yl]butan-1-one

Systemtic Name: 3,3-dimethyl-1-[2-methyl-4-[2-(6-phenylpyridazin-3-yl)sulfanylethanoyl]piperazin-1-yl]butan-1-one Openeye Name: 3,3-dimethyl-1-[2-methyl-4-[2-(6-phenylpyridazin-3-yl)sulfanylacetyl]piperazin-1-yl]butan-1-one CAS Name: 3,3-dimethyl-1-[2-methyl-4-[1-oxo-2-[(6-phenyl-3-pyridazinyl)thio]ethyl]-1-piperazinyl]-1-butanone IUPAC Name: 3,3-dimethyl-1-[2-methyl-4-[2-(6-phenylpyridazin-3-yl)sulfanylacetyl]piperazin-1-yl]butan-1-one Traditional Name: 3,3-dimethyl-1-[2-methyl-4-[2-[(6-phenylpyridazin-3-yl)thio]acetyl]piperazino]butan-1-one Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O2S/c1-17-15-26(12-13-27(17)21(28)14-23(2,3)4)22(29)16-30-20-11-10-19(24-25-20)18-8-6-5-7-9-18/h5-11,17H,12-16H2,1-4H3