3-prop-2-enyl-6-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidin-4-one

Systemtic Name: 3-prop-2-enyl-6-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidin-4-one Openeye Name: 3-allyl-6-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidin-4-one CAS Name: 3-prop-2-enyl-6-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenyl]methylthio]-4-pyrimidinone IUPAC Name: 3-prop-2-enyl-6-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidin-4-one Traditional Name: 3-allyl-6-(trifluoromethyl)-2-[[3-(trifluoromethyl)benzyl]thio]pyrimidin-4-one Formula: C16H12F6N2OS MolecularWeight: 394.334699

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C=C(N=C1SCC2=CC(=CC=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C=CCN1C(=O)C=C(N=C1SCC2=CC(=CC=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H12F6N2OS/c1-2-6-24-13(25)8-12(16(20,21)22)23-14(24)26-9-10-4-3-5-11(7-10)15(17,18)19/h2-5,7-8H,1,6,9H2