S-(5-pyridin-2-ylsulfanylpentyl) ethanethioate

Systemtic Name: S-(5-pyridin-2-ylsulfanylpentyl) ethanethioate Openeye Name: S-[5-(2-pyridylsulfanyl)pentyl] ethanethioate CAS Name: ethanethioic acid S-[5-(2-pyridinylthio)pentyl] ester IUPAC Name: S-(5-pyridin-2-ylsulfanylpentyl) ethanethioate Traditional Name: ethanethioic acid S-[5-(2-pyridylthio)pentyl] ester Formula: C12H17NOS2 MolecularWeight: 255.39948

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCCCSC1=CC=CC=N1

Isomeric SMILES

CC(=O)SCCCCCSC1=CC=CC=N1

InChI

InChI=1S/C12H17NOS2/c1-11(14)15-9-5-2-6-10-16-12-7-3-4-8-13-12/h3-4,7-8H,2,5-6,9-10H2,1H3