2-(5-nitropyridin-2-yl)sulfanylethyl 3-(trifluoromethyl)benzoate

Systemtic Name: 2-(5-nitropyridin-2-yl)sulfanylethyl 3-(trifluoromethyl)benzoate Openeye Name: 2-[(5-nitro-2-pyridyl)sulfanyl]ethyl 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid 2-[(5-nitro-2-pyridinyl)thio]ethyl ester IUPAC Name: 2-(5-nitropyridin-2-yl)sulfanylethyl 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid 2-[(5-nitro-2-pyridyl)thio]ethyl ester Formula: C15H11F3N2O4S MolecularWeight: 372.31905

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C(=O)OCCSC2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C(=O)OCCSC2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H11F3N2O4S/c16-15(17,18)11-3-1-2-10(8-11)14(21)24-6-7-25-13-5-4-12(9-19-13)20(22)23/h1-5,8-9H,6-7H2