S-[2-(1-phenylimidazol-2-yl)ethyl] ethanethioate

Systemtic Name: S-[2-(1-phenylimidazol-2-yl)ethyl] ethanethioate Openeye Name: S-[2-(1-phenylimidazol-2-yl)ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-(1-phenyl-2-imidazolyl)ethyl] ester IUPAC Name: S-[2-(1-phenylimidazol-2-yl)ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-(1-phenylimidazol-2-yl)ethyl] ester Formula: C13H14N2OS MolecularWeight: 246.32806

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC1=NC=CN1C2=CC=CC=C2

Isomeric SMILES

CC(=O)SCCC1=NC=CN1C2=CC=CC=C2

InChI

InChI=1S/C13H14N2OS/c1-11(16)17-10-7-13-14-8-9-15(13)12-5-3-2-4-6-12/h2-6,8-9H,7,10H2,1H3