[6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: [6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 3,5-bis(trifluoromethyl)benzoate Openeye Name: [6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid [6-[[(1-methyl-2-imidazolyl)thio]methyl]-4-oxo-3-pyranyl] ester IUPAC Name: [6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid [4-keto-6-[[(1-methylimidazol-2-yl)thio]methyl]pyran-3-yl] ester Formula: C19H12F6N2O4S MolecularWeight: 478.364999

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC2=CC(=O)C(=CO2)OC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CN1C=CN=C1SCC2=CC(=O)C(=CO2)OC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C19H12F6N2O4S/c1-27-3-2-26-17(27)32-9-13-7-14(28)15(8-30-13)31-16(29)10-4-11(18(20,21)22)6-12(5-10)19(23,24)25/h2-8H,9H2,1H3