methyl 2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylbenzoate

Systemtic Name: methyl 2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylbenzoate Openeye Name: methyl 2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]benzoate CAS Name: 2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylbenzoate Traditional Name: 2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]thio]benzoic acid methyl ester Formula: C16H11F3N2O2S MolecularWeight: 352.33095

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C16H11F3N2O2S/c1-9-7-12(16(17,18)19)11(8-20)14(21-9)24-13-6-4-3-5-10(13)15(22)23-2/h3-7H,1-2H3