1-(azepan-1-yl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propan-1-one

Systemtic Name: 1-(azepan-1-yl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propan-1-one Openeye Name: 1-(azepan-1-yl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propan-1-one CAS Name: 1-(1-azepanyl)-2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]-1-propanone IUPAC Name: 1-(azepan-1-yl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropan-1-one Traditional Name: 1-(azepan-1-yl)-2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]propan-1-one Formula: C20H22F3N3OS MolecularWeight: 409.46839

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCCCCC1)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C20H22F3N3OS/c1-14(18(27)26-11-7-2-3-8-12-26)28-19-24-16(15-9-5-4-6-10-15)13-17(25-19)20(21,22)23/h4-6,9-10,13-14H,2-3,7-8,11-12H2,1H3