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

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-3-propyl-6-(trifluoromethyl)pyrimidin-4-one Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-3-propyl-6-(trifluoromethyl)pyrimidin-4-one CAS Name: 2-[(4-nitrophenyl)methylthio]-3-propyl-6-(trifluoromethyl)-4-pyrimidinone IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-3-propyl-6-(trifluoromethyl)pyrimidin-4-one Traditional Name: 2-[(4-nitrobenzyl)thio]-3-propyl-6-(trifluoromethyl)pyrimidin-4-one Formula: C15H14F3N3O3S MolecularWeight: 373.35017

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=C(N=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CCCN1C(=O)C=C(N=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C15H14F3N3O3S/c1-2-7-20-13(22)8-12(15(16,17)18)19-14(20)25-9-10-3-5-11(6-4-10)21(23)24/h3-6,8H,2,7,9H2,1H3