2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-ethanone CAS Name: 2-[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]ethanone Formula: C22H26N6O3S2 MolecularWeight: 486.61024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C=C2)SCC(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C=C2)SCC(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C22H26N6O3S2/c1-17-14-18(2)28(25-17)20-8-9-21(24-23-20)32-15-22(29)26-10-12-27(13-11-26)33(30,31)16-19-6-4-3-5-7-19/h3-9,14H,10-13,15-16H2,1-2H3