2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-quinazolin-4-one Openeye Name: 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-quinazolin-4-one CAS Name: 2-[[3-(trifluoromethyl)phenyl]methylthio]-1H-quinazolin-4-one IUPAC Name: 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-quinazolin-4-one Traditional Name: 2-[[3-(trifluoromethyl)benzyl]thio]-1H-quinazolin-4-one Formula: C16H11F3N2OS MolecularWeight: 336.33155

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)SCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)SCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C16H11F3N2OS/c17-16(18,19)11-5-3-4-10(8-11)9-23-15-20-13-7-2-1-6-12(13)14(22)21-15/h1-8H,9H2,(H,20,21,22)