1-(2,5-dimethylphenyl)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(2,5-dimethylphenyl)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanone Openeye Name: 1-(2,5-dimethylphenyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]ethanone CAS Name: 1-(2,5-dimethylphenyl)-2-[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]thio]ethanone IUPAC Name: 1-(2,5-dimethylphenyl)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylethanone Traditional Name: 1-(2,5-dimethylphenyl)-2-[[5-(4-methylpiperazino)sulfonyl-2-pyridyl]thio]ethanone Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

InChI

InChI=1S/C20H25N3O3S2/c1-15-4-5-16(2)18(12-15)19(24)14-27-20-7-6-17(13-21-20)28(25,26)23-10-8-22(3)9-11-23/h4-7,12-13H,8-11,14H2,1-3H3