2-[(1R)-1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfanylethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1R)-1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfanylethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-[[4-chloro-3-(trifluoromethyl)phenyl]thio]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-[[4-chloro-3-(trifluoromethyl)phenyl]thio]ethyl]-1H-quinazolin-4-one Formula: C17H12ClF3N2OS MolecularWeight: 384.80319

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)SC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C17H12ClF3N2OS/c1-9(15-22-14-5-3-2-4-11(14)16(24)23-15)25-10-6-7-13(18)12(8-10)17(19,20)21/h2-9H,1H3,(H,22,23,24)/t9-/m1/s1