octyl 2-[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoate

Systemtic Name: octyl 2-[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoate Openeye Name: octyl 2-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid octyl ester IUPAC Name: octyl 2-[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridyl]thio]acetic acid octyl ester Formula: C23H25F3N2O2S MolecularWeight: 450.51701

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CSC1=C(C(=CC(=N1)C2=CC=CC=C2)C(F)(F)F)C#N

Isomeric SMILES

CCCCCCCCOC(=O)CSC1=C(C(=CC(=N1)C2=CC=CC=C2)C(F)(F)F)C#N

InChI

InChI=1S/C23H25F3N2O2S/c1-2-3-4-5-6-10-13-30-21(29)16-31-22-18(15-27)19(23(24,25)26)14-20(28-22)17-11-8-7-9-12-17/h7-9,11-12,14H,2-6,10,13,16H2,1H3