1-[4-[2-[2-(hydroxymethyl)-3-methyl-pyridin-4-yl]sulfanylethyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[2-[2-(hydroxymethyl)-3-methyl-pyridin-4-yl]sulfanylethyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[2-[[2-(hydroxymethyl)-3-methyl-4-pyridyl]sulfanyl]ethyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[2-[[2-(hydroxymethyl)-3-methyl-4-pyridinyl]thio]ethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[2-[2-(hydroxymethyl)-3-methylpyridin-4-yl]sulfanylethyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[2-[(3-methyl-2-methylol-4-pyridyl)thio]ethyl]piperazino]ethanone Formula: C15H23N3O2S MolecularWeight: 309.42702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CO)SCCN2CCN(CC2)C(=O)C

Isomeric SMILES

CC1=C(C=CN=C1CO)SCCN2CCN(CC2)C(=O)C

InChI

InChI=1S/C15H23N3O2S/c1-12-14(11-19)16-4-3-15(12)21-10-9-17-5-7-18(8-6-17)13(2)20/h3-4,19H,5-11H2,1-2H3