S-(5-oxidanyl-5-pyridin-3-yl-pentyl) ethanethioate

Systemtic Name: S-(5-oxidanyl-5-pyridin-3-yl-pentyl) ethanethioate Openeye Name: S-[5-hydroxy-5-(3-pyridyl)pentyl] ethanethioate CAS Name: ethanethioic acid S-[5-hydroxy-5-(3-pyridinyl)pentyl] ester IUPAC Name: S-(5-hydroxy-5-pyridin-3-ylpentyl) ethanethioate Traditional Name: ethanethioic acid S-[5-hydroxy-5-(3-pyridyl)pentyl] ester Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCCC(C1=CN=CC=C1)O

Isomeric SMILES

CC(=O)SCCCCC(C1=CN=CC=C1)O

InChI

InChI=1S/C12H17NO2S/c1-10(14)16-8-3-2-6-12(15)11-5-4-7-13-9-11/h4-5,7,9,12,15H,2-3,6,8H2,1H3