(E)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one Openeye Name: (E)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one CAS Name: (E)-3-[3-nitro-4-(2-pyrimidinylthio)phenyl]-1-[3-(trifluoromethyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one Traditional Name: (E)-3-[3-nitro-4-(2-pyrimidylthio)phenyl]-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one Formula: C20H12F3N3O3S MolecularWeight: 431.38779

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C(=O)C=CC2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C(=O)/C=C/C2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H12F3N3O3S/c21-20(22,23)15-4-1-3-14(12-15)17(27)7-5-13-6-8-18(16(11-13)26(28)29)30-19-24-9-2-10-25-19/h1-12H/b7-5+