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

Systemtic Name: 2-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[3-(trifluoromethyl)phenyl]methylthio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[3-(trifluoromethyl)benzyl]thio]methyl]-1H-quinazolin-4-one Formula: C17H13F3N2OS MolecularWeight: 350.35813

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)CSCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)CSCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C17H13F3N2OS/c18-17(19,20)12-5-3-4-11(8-12)9-24-10-15-21-14-7-2-1-6-13(14)16(23)22-15/h1-8H,9-10H2,(H,21,22,23)