2-sulfanylidene-5-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-1H-pyrimidin-4-one

Systemtic Name: 2-sulfanylidene-5-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-1H-pyrimidin-4-one Openeye Name: 2-thioxo-5-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-1H-pyrimidin-4-one CAS Name: 2-sulfanylidene-5-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-1H-pyrimidin-4-one IUPAC Name: 2-sulfanylidene-5-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-1H-pyrimidin-4-one Traditional Name: 2-thioxo-5-[3-[3-(trifluoromethyl)phenoxy]benzyl]-1H-pyrimidin-4-one Formula: C18H13F3N2O2S MolecularWeight: 378.36823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=CC=CC(=C2)C(F)(F)F)CC3=CNC(=S)NC3=O

Isomeric SMILES

C1=CC(=CC(=C1)OC2=CC=CC(=C2)C(F)(F)F)CC3=CNC(=S)NC3=O

InChI

InChI=1S/C18H13F3N2O2S/c19-18(20,21)13-4-2-6-15(9-13)25-14-5-1-3-11(8-14)7-12-10-22-17(26)23-16(12)24/h1-6,8-10H,7H2,(H2,22,23,24,26)