3-methyl-1-[2-methyl-4-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]phenyl]carbonyl-piperazin-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[2-methyl-4-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]phenyl]carbonyl-piperazin-1-yl]butan-1-one Openeye Name: 3-methyl-1-[2-methyl-4-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzoyl]piperazin-1-yl]butan-1-one CAS Name: 3-methyl-1-[2-methyl-4-[oxo-[3-[[(6-phenyl-3-pyridazinyl)thio]methyl]phenyl]methyl]-1-piperazinyl]-1-butanone IUPAC Name: 3-methyl-1-[2-methyl-4-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzoyl]piperazin-1-yl]butan-1-one Traditional Name: 3-methyl-1-[2-methyl-4-[3-[[(6-phenylpyridazin-3-yl)thio]methyl]benzoyl]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)C2=CC(=CC=C2)CSC3=NN=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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