1-[5-nitro-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-phenyl]ethanone

Systemtic Name: 1-[5-nitro-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-phenyl]ethanone Openeye Name: 1-[5-nitro-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-phenyl]ethanone CAS Name: 1-[5-nitro-2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]phenyl]ethanone IUPAC Name: 1-[5-nitro-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylphenyl]ethanone Traditional Name: 1-[5-nitro-2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]phenyl]ethanone Formula: C19H12F3N3O3S MolecularWeight: 419.37709

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C19H12F3N3O3S/c1-11(26)14-9-13(25(27)28)7-8-16(14)29-18-23-15(12-5-3-2-4-6-12)10-17(24-18)19(20,21)22/h2-10H,1H3