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

Systemtic Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-pyrimidin-6-one Openeye Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-pyrimidin-6-one CAS Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-1H-pyrimidin-6-one IUPAC Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-pyrimidin-6-one Traditional Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-1H-pyrimidin-6-one Formula: C11H5F3N4O5S MolecularWeight: 362.24141

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(NC1=O)SC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CN=C(NC1=O)SC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C11H5F3N4O5S/c12-11(13,14)5-3-6(17(20)21)9(7(4-5)18(22)23)24-10-15-2-1-8(19)16-10/h1-4H,(H,15,16,19)