methyl 2-[2-cyano-4-(trifluoromethyl)phenyl]sulfanylbenzoate

Systemtic Name: methyl 2-[2-cyano-4-(trifluoromethyl)phenyl]sulfanylbenzoate Openeye Name: methyl 2-[2-cyano-4-(trifluoromethyl)phenyl]sulfanylbenzoate CAS Name: 2-[[2-cyano-4-(trifluoromethyl)phenyl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-[2-cyano-4-(trifluoromethyl)phenyl]sulfanylbenzoate Traditional Name: 2-[[2-cyano-4-(trifluoromethyl)phenyl]thio]benzoic acid methyl ester Formula: C16H10F3NO2S MolecularWeight: 337.31631

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SC2=C(C=C(C=C2)C(F)(F)F)C#N

Isomeric SMILES

COC(=O)C1=CC=CC=C1SC2=C(C=C(C=C2)C(F)(F)F)C#N

InChI

InChI=1S/C16H10F3NO2S/c1-22-15(21)12-4-2-3-5-14(12)23-13-7-6-11(16(17,18)19)8-10(13)9-20/h2-8H,1H3