2-methyl-1-[2-methyl-4-[4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]phenyl]carbonyl-piperazin-1-yl]propan-1-one

Systemtic Name: 2-methyl-1-[2-methyl-4-[4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]phenyl]carbonyl-piperazin-1-yl]propan-1-one Openeye Name: 2-methyl-1-[2-methyl-4-[4-[[6-(p-tolyl)pyridazin-3-yl]sulfanylmethyl]benzoyl]piperazin-1-yl]propan-1-one CAS Name: 2-methyl-1-[2-methyl-4-[[4-[[[6-(4-methylphenyl)-3-pyridazinyl]thio]methyl]phenyl]-oxomethyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-methyl-1-[2-methyl-4-[4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]benzoyl]piperazin-1-yl]propan-1-one Traditional Name: 2-methyl-1-[2-methyl-4-[4-[[[6-(p-tolyl)pyridazin-3-yl]thio]methyl]benzoyl]piperazino]propan-1-one Formula: C28H32N4O2S MolecularWeight: 488.64428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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