(2S)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylcyclohexan-1-one

Systemtic Name: (2S)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylcyclohexan-1-one Openeye Name: (2S)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylcyclohexanone CAS Name: (2S)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]-1-cyclohexanone IUPAC Name: (2S)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylcyclohexan-1-one Traditional Name: (2S)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]cyclohexanone Formula: C15H13F3N2OS MolecularWeight: 326.33673

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)SC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

C1CCC(=O)[C@H](C1)SC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C15H13F3N2OS/c16-15(17,18)14-19-10-6-2-1-5-9(10)13(20-14)22-12-8-4-3-7-11(12)21/h1-2,5-6,12H,3-4,7-8H2/t12-/m0/s1