2-[(3-nitrophenyl)methylsulfanyl]-6-(trifluoromethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[(3-nitrophenyl)methylsulfanyl]-6-(trifluoromethyl)-1H-pyrimidin-4-one Openeye Name: 2-[(3-nitrophenyl)methylsulfanyl]-6-(trifluoromethyl)-1H-pyrimidin-4-one CAS Name: 2-[(3-nitrophenyl)methylthio]-6-(trifluoromethyl)-1H-pyrimidin-4-one IUPAC Name: 2-[(3-nitrophenyl)methylsulfanyl]-6-(trifluoromethyl)-1H-pyrimidin-4-one Traditional Name: 2-[(3-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(=C1)[N+](=O)[O-])CSC2=NC(=O)C=C(N2)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=NC(=O)C=C(N2)C(F)(F)F

InChI

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