(2-chloranyl-6-fluoranyl-phenyl)methyl 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid (2-chloro-6-fluoro-benzyl) ester Formula: C21H13ClFNO2S MolecularWeight: 397.849823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H13ClFNO2S/c22-17-8-5-9-18(23)16(17)13-26-21(25)15-7-2-4-11-20(15)27-19-10-3-1-6-14(19)12-24/h1-11H,13H2