S-(4-pyridin-2-ylsulfanylbutyl) ethanethioate

Systemtic Name: S-(4-pyridin-2-ylsulfanylbutyl) ethanethioate Openeye Name: S-[4-(2-pyridylsulfanyl)butyl] ethanethioate CAS Name: ethanethioic acid S-[4-(2-pyridinylthio)butyl] ester IUPAC Name: S-(4-pyridin-2-ylsulfanylbutyl) ethanethioate Traditional Name: ethanethioic acid S-[4-(2-pyridylthio)butyl] ester Formula: C11H15NOS2 MolecularWeight: 241.3729

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCCSC1=CC=CC=N1

Isomeric SMILES

CC(=O)SCCCCSC1=CC=CC=N1

InChI

InChI=1S/C11H15NOS2/c1-10(13)14-8-4-5-9-15-11-6-2-3-7-12-11/h2-3,6-7H,4-5,8-9H2,1H3