2-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[[3-(trifluoromethyl)phenyl]thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[[3-(trifluoromethyl)phenyl]thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C14H9F3N2OS2 MolecularWeight: 342.35927

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SCC2=NC(=O)C3=C(N2)C=CS3)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)SCC2=NC(=O)C3=C(N2)C=CS3)C(F)(F)F

InChI

InChI=1S/C14H9F3N2OS2/c15-14(16,17)8-2-1-3-9(6-8)22-7-11-18-10-4-5-21-12(10)13(20)19-11/h1-6H,7H2,(H,18,19,20)