(4S)-4-but-1-ynyl-5,6-bis(fluoranyl)-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one

Systemtic Name: (4S)-4-but-1-ynyl-5,6-bis(fluoranyl)-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one Openeye Name: (4S)-4-but-1-ynyl-5,6-difluoro-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one CAS Name: (4S)-4-but-1-ynyl-5,6-difluoro-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one IUPAC Name: (4S)-4-but-1-ynyl-5,6-difluoro-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one Traditional Name: (4S)-4-but-1-ynyl-5,6-difluoro-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one Formula: C13H9F5N2O MolecularWeight: 304.215376

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC1(C2=C(C=CC(=C2F)F)NC(=O)N1)C(F)(F)F

Isomeric SMILES

CCC#C[C@]1(C2=C(C=CC(=C2F)F)NC(=O)N1)C(F)(F)F

InChI

InChI=1S/C13H9F5N2O/c1-2-3-6-12(13(16,17)18)9-8(19-11(21)20-12)5-4-7(14)10(9)15/h4-5H,2H2,1H3,(H2,19,20,21)/t12-/m0/s1