5-phenyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-phenyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-phenyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-phenyl-2-[[2-(trifluoromethyl)phenyl]methylthio]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-phenyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-phenyl-2-[[2-(trifluoromethyl)benzyl]thio]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H13F3N2OS2 MolecularWeight: 418.45523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCC4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCC4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C20H13F3N2OS2/c21-20(22,23)15-9-5-4-8-13(15)10-28-19-24-17(26)16-14(11-27-18(16)25-19)12-6-2-1-3-7-12/h1-9,11H,10H2,(H,24,25,26)