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

Systemtic Name: S-(2-pyridin-4-ylethyl) ethanethioate Openeye Name: S-[2-(4-pyridyl)ethyl] ethanethioate CAS Name: ethanethioic acid S-(2-pyridin-4-ylethyl) ester IUPAC Name: S-(2-pyridin-4-ylethyl) ethanethioate Traditional Name: ethanethioic acid S-[2-(4-pyridyl)ethyl] ester Formula: C9H11NOS MolecularWeight: 181.25474

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC1=CC=NC=C1

Isomeric SMILES

CC(=O)SCCC1=CC=NC=C1

InChI

InChI=1S/C9H11NOS/c1-8(11)12-7-4-9-2-5-10-6-3-9/h2-3,5-6H,4,7H2,1H3