6-bromanyl-3-[(2S)-2-oxidanylpropyl]-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one

Systemtic Name: 6-bromanyl-3-[(2S)-2-oxidanylpropyl]-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one Openeye Name: 6-bromo-3-[(2S)-2-hydroxypropyl]-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 6-bromo-3-[(2S)-2-hydroxypropyl]-2-[[3-(trifluoromethyl)phenyl]methylthio]-4-quinazolinone IUPAC Name: 6-bromo-3-[(2S)-2-hydroxypropyl]-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 6-bromo-3-[(2S)-2-hydroxypropyl]-2-[[3-(trifluoromethyl)benzyl]thio]quinazolin-4-one Formula: C19H16BrF3N2O2S MolecularWeight: 473.30675

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=CC(=CC=C3)C(F)(F)F)O

Isomeric SMILES

C[C@@H](CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=CC(=CC=C3)C(F)(F)F)O

InChI

InChI=1S/C19H16BrF3N2O2S/c1-11(26)9-25-17(27)15-8-14(20)5-6-16(15)24-18(25)28-10-12-3-2-4-13(7-12)19(21,22)23/h2-8,11,26H,9-10H2,1H3/t11-/m0/s1