1-[4-[4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]phenyl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-[4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]phenyl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[4-[[6-(p-tolyl)pyridazin-3-yl]sulfanylmethyl]benzoyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[4-[[[6-(4-methylphenyl)-3-pyridazinyl]thio]methyl]phenyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]benzoyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[4-[[[6-(p-tolyl)pyridazin-3-yl]thio]methyl]benzoyl]piperazino]ethanone Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C=C2)SCC3=CC=C(C=C3)C(=O)N4CCN(CC4)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C=C2)SCC3=CC=C(C=C3)C(=O)N4CCN(CC4)C(=O)C

InChI

InChI=1S/C25H26N4O2S/c1-18-3-7-21(8-4-18)23-11-12-24(27-26-23)32-17-20-5-9-22(10-6-20)25(31)29-15-13-28(14-16-29)19(2)30/h3-12H,13-17H2,1-2H3