2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-6-methyl-1H-pyrimidin-4-one Formula: C12H7F3N4O5S MolecularWeight: 376.26799

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)N=C(N1)SC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H7F3N4O5S/c1-5-2-9(20)17-11(16-5)25-10-7(18(21)22)3-6(12(13,14)15)4-8(10)19(23)24/h2-4H,1H3,(H,16,17,20)