3-fluoranyl-4-[2-methyl-4-(trifluoromethyl)-2,4-dihydro-1H-pyrimidin-3-yl]benzenecarbonitrile; propane-1-sulfonamide

Systemtic Name: 3-fluoranyl-4-[2-methyl-4-(trifluoromethyl)-2,4-dihydro-1H-pyrimidin-3-yl]benzenecarbonitrile; propane-1-sulfonamide Openeye Name: 3-fluoro-4-[2-methyl-4-(trifluoromethyl)-2,4-dihydro-1H-pyrimidin-3-yl]benzonitrile; propane-1-sulfonamide CAS Name: 3-fluoro-4-[2-methyl-4-(trifluoromethyl)-2,4-dihydro-1H-pyrimidin-3-yl]benzonitrile; 1-propanesulfonamide IUPAC Name: 3-fluoro-4-[2-methyl-4-(trifluoromethyl)-2,4-dihydro-1H-pyrimidin-3-yl]benzonitrile; propane-1-sulfonamide Traditional Name: 3-fluoro-4-[2-methyl-4-(trifluoromethyl)-2,4-dihydro-1H-pyrimidin-3-yl]benzonitrile; propane-1-sulfonamide Formula: C16H20F4N4O2S MolecularWeight: 408.414213

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N.CC1NC=CC(N1C2=C(C=C(C=C2)C#N)F)C(F)(F)F

Isomeric SMILES

CCCS(=O)(=O)N.CC1NC=CC(N1C2=C(C=C(C=C2)C#N)F)C(F)(F)F

InChI

InChI=1S/C13H11F4N3.C3H9NO2S/c1-8-19-5-4-12(13(15,16)17)20(8)11-3-2-9(7-18)6-10(11)14;1-2-3-7(4,5)6/h2-6,8,12,19H,1H3;2-3H2,1H3,(H2,4,5,6)