methyl 5-nitro-6-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-pyridine-3-carboxylate

Systemtic Name: methyl 5-nitro-6-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-pyridine-3-carboxylate Openeye Name: methyl 5-nitro-6-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]pyridine-3-carboxylate CAS Name: 5-nitro-6-[[5-(trifluoromethyl)-2-pyridinyl]thio]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-nitro-6-[5-(trifluoromethyl)pyridin-2-yl]sulfanylpyridine-3-carboxylate Traditional Name: 5-nitro-6-[[5-(trifluoromethyl)-2-pyridyl]thio]nicotinic acid methyl ester Formula: C13H8F3N3O4S MolecularWeight: 359.28053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(N=C1)SC2=NC=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(N=C1)SC2=NC=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H8F3N3O4S/c1-23-12(20)7-4-9(19(21)22)11(18-5-7)24-10-3-2-8(6-17-10)13(14,15)16/h2-6H,1H3