6-(ethylsulfanylmethyl)-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-(ethylsulfanylmethyl)-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-4-one Openeye Name: 6-(ethylsulfanylmethyl)-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-4-one CAS Name: 6-[(ethylthio)methyl]-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-(ethylsulfanylmethyl)-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-4-one Traditional Name: 6-[(ethylthio)methyl]-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-4-one Formula: C14H13F3N2OS MolecularWeight: 314.32603

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCSCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C14H13F3N2OS/c1-2-21-8-11-7-12(20)19-13(18-11)9-3-5-10(6-4-9)14(15,16)17/h3-7H,2,8H2,1H3,(H,18,19,20)