[2,4-bis(fluoranyl)phenyl] 4-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: [2,4-bis(fluoranyl)phenyl] 4-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: (2,4-difluorophenyl) 4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]methyl]benzoic acid (2,4-difluorophenyl) ester IUPAC Name: (2,4-difluorophenyl) 4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]methyl]benzoic acid (2,4-difluorophenyl) ester Formula: C21H18F2N2O3S MolecularWeight: 416.441026

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)F)F

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)F)F

InChI

InChI=1S/C21H18F2N2O3S/c1-2-3-16-11-19(26)25-21(24-16)29-12-13-4-6-14(7-5-13)20(27)28-18-9-8-15(22)10-17(18)23/h4-11H,2-3,12H2,1H3,(H,24,25,26)