2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethyl 4-methylbenzoate

Systemtic Name: 2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethyl 4-methylbenzoate Openeye Name: 2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]ethyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid 2-[[5-(trifluoromethyl)-2-pyridinyl]thio]ethyl ester IUPAC Name: 2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid 2-[[5-(trifluoromethyl)-2-pyridyl]thio]ethyl ester Formula: C16H14F3NO2S MolecularWeight: 341.34807

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCCSC2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCCSC2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C16H14F3NO2S/c1-11-2-4-12(5-3-11)15(21)22-8-9-23-14-7-6-13(10-20-14)16(17,18)19/h2-7,10H,8-9H2,1H3