3,3-dimethyl-1-[2-methyl-4-[5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]furan-2-yl]carbonyl-piperazin-1-yl]butan-1-one

Systemtic Name: 3,3-dimethyl-1-[2-methyl-4-[5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]furan-2-yl]carbonyl-piperazin-1-yl]butan-1-one Openeye Name: 3,3-dimethyl-1-[2-methyl-4-[5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]furan-2-carbonyl]piperazin-1-yl]butan-1-one CAS Name: 3,3-dimethyl-1-[2-methyl-4-[oxo-[5-[[(6-phenyl-3-pyridazinyl)thio]methyl]-2-furanyl]methyl]-1-piperazinyl]-1-butanone IUPAC Name: 3,3-dimethyl-1-[2-methyl-4-[5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]furan-2-carbonyl]piperazin-1-yl]butan-1-one Traditional Name: 3,3-dimethyl-1-[2-methyl-4-[5-[[(6-phenylpyridazin-3-yl)thio]methyl]-2-furoyl]piperazino]butan-1-one Formula: C27H32N4O3S MolecularWeight: 492.63298

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC(C)(C)C)C(=O)C2=CC=C(O2)CSC3=NN=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1C(=O)CC(C)(C)C)C(=O)C2=CC=C(O2)CSC3=NN=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H32N4O3S/c1-19-17-30(14-15-31(19)25(32)16-27(2,3)4)26(33)23-12-10-21(34-23)18-35-24-13-11-22(28-29-24)20-8-6-5-7-9-20/h5-13,19H,14-18H2,1-4H3