1-[3-methoxy-4-(2-methyl-2-oxidanyl-propoxy)phenyl]-3-[4-(trifluoromethyloxy)phenyl]sulfanyl-pyrazin-2-one

Systemtic Name: 1-[3-methoxy-4-(2-methyl-2-oxidanyl-propoxy)phenyl]-3-[4-(trifluoromethyloxy)phenyl]sulfanyl-pyrazin-2-one Openeye Name: 1-[4-(2-hydroxy-2-methyl-propoxy)-3-methoxy-phenyl]-3-[4-(trifluoromethoxy)phenyl]sulfanyl-pyrazin-2-one CAS Name: 1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-3-[[4-(trifluoromethoxy)phenyl]thio]-2-pyrazinone IUPAC Name: 1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-3-[4-(trifluoromethoxy)phenyl]sulfanylpyrazin-2-one Traditional Name: 1-[4-(2-hydroxy-2-methyl-propoxy)-3-methoxy-phenyl]-3-[[4-(trifluoromethoxy)phenyl]thio]pyrazin-2-one Formula: C22H21F3N2O5S MolecularWeight: 482.47275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC1=C(C=C(C=C1)N2C=CN=C(C2=O)SC3=CC=C(C=C3)OC(F)(F)F)OC)O

Isomeric SMILES

CC(C)(COC1=C(C=C(C=C1)N2C=CN=C(C2=O)SC3=CC=C(C=C3)OC(F)(F)F)OC)O

InChI

InChI=1S/C22H21F3N2O5S/c1-21(2,29)13-31-17-9-4-14(12-18(17)30-3)27-11-10-26-19(20(27)28)33-16-7-5-15(6-8-16)32-22(23,24)25/h4-12,29H,13H2,1-3H3