(4S)-4-but-1-ynyl-6-chloranyl-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one

Systemtic Name: (4S)-4-but-1-ynyl-6-chloranyl-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one Openeye Name: (4S)-4-but-1-ynyl-6-chloro-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one CAS Name: (4S)-4-but-1-ynyl-6-chloro-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one IUPAC Name: (4S)-4-but-1-ynyl-6-chloro-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one Traditional Name: (4S)-4-but-1-ynyl-6-chloro-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one Formula: C13H10ClF3N2O MolecularWeight: 302.67951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10ClF3N2O/c1-2-3-6-12(13(15,16)17)9-7-8(14)4-5-10(9)18-11(20)19-12/h4-5,7H,2H2,1H3,(H2,18,19,20)/t12-/m0/s1