2-[(4-nitrophenyl)methylsulfanyl]-6-(trifluoromethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-6-(trifluoromethyl)-1H-pyrimidin-4-one Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-6-(trifluoromethyl)-1H-pyrimidin-4-one CAS Name: 2-[(4-nitrophenyl)methylthio]-6-(trifluoromethyl)-1H-pyrimidin-4-one IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-6-(trifluoromethyl)-1H-pyrimidin-4-one Traditional Name: 2-[(4-nitrobenzyl)thio]-6-(trifluoromethyl)-1H-pyrimidin-4-one Formula: C12H8F3N3O3S MolecularWeight: 331.27043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC(=O)C=C(N2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC(=O)C=C(N2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H8F3N3O3S/c13-12(14,15)9-5-10(19)17-11(16-9)22-6-7-1-3-8(4-2-7)18(20)21/h1-5H,6H2,(H,16,17,19)