6-sulfanylidene-5-[3-(trifluoromethyl)phenyl]-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-sulfanylidene-5-[3-(trifluoromethyl)phenyl]-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-thioxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-sulfanylidene-5-[3-(trifluoromethyl)phenyl]-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-sulfanylidene-5-[3-(trifluoromethyl)phenyl]-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-thioxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Formula: C12H7F3N4OS MolecularWeight: 312.27039

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)C3=CNNC3=NC2=S)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)C3=CNNC3=NC2=S)C(F)(F)F

InChI

InChI=1S/C12H7F3N4OS/c13-12(14,15)6-2-1-3-7(4-6)19-10(20)8-5-16-18-9(8)17-11(19)21/h1-5H,(H2,16,17,18,21)