S-[4-(2-phenylethynyl)phenyl] ethanethioate

Systemtic Name: S-[4-(2-phenylethynyl)phenyl] ethanethioate Openeye Name: S-[4-(2-phenylethynyl)phenyl] ethanethioate CAS Name: ethanethioic acid S-[4-(2-phenylethynyl)phenyl] ester IUPAC Name: S-[4-(2-phenylethynyl)phenyl] ethanethioate Traditional Name: ethanethioic acid S-[4-(2-phenylethynyl)phenyl] ester Formula: C16H12OS MolecularWeight: 252.33088

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=CC=C(C=C1)C#CC2=CC=CC=C2

Isomeric SMILES

CC(=O)SC1=CC=C(C=C1)C#CC2=CC=CC=C2

InChI

InChI=1S/C16H12OS/c1-13(17)18-16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,9-12H,1H3