2-phenacylsulfanyl-3-[3-(trifluoromethyl)phenyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-phenacylsulfanyl-3-[3-(trifluoromethyl)phenyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Openeye Name: 2-phenacylsulfanyl-3-[3-(trifluoromethyl)phenyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one CAS Name: 2-(phenacylthio)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-phenacylsulfanyl-3-[3-(trifluoromethyl)phenyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Traditional Name: 2-(phenacylthio)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Formula: C21H15F3N2O2S2 MolecularWeight: 448.48121

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C1N=C(N(C2=O)C3=CC=CC(=C3)C(F)(F)F)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CSC2=C1N=C(N(C2=O)C3=CC=CC(=C3)C(F)(F)F)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H15F3N2O2S2/c22-21(23,24)14-7-4-8-15(11-14)26-19(28)18-16(9-10-29-18)25-20(26)30-12-17(27)13-5-2-1-3-6-13/h1-8,11H,9-10,12H2