(4-cyanophenyl) 2-[(4-fluorophenyl)methylsulfanyl]ethanoate

Systemtic Name: (4-cyanophenyl) 2-[(4-fluorophenyl)methylsulfanyl]ethanoate Openeye Name: (4-cyanophenyl) 2-[(4-fluorophenyl)methylsulfanyl]acetate CAS Name: 2-[(4-fluorophenyl)methylthio]acetic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 2-[(4-fluorophenyl)methylsulfanyl]acetate Traditional Name: 2-[(4-fluorobenzyl)thio]acetic acid (4-cyanophenyl) ester Formula: C16H12FNO2S MolecularWeight: 301.335383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC(=O)OC2=CC=C(C=C2)C#N)F

Isomeric SMILES

C1=CC(=CC=C1CSCC(=O)OC2=CC=C(C=C2)C#N)F

InChI

InChI=1S/C16H12FNO2S/c17-14-5-1-13(2-6-14)10-21-11-16(19)20-15-7-3-12(9-18)4-8-15/h1-8H,10-11H2