6-ethylsulfanyl-1-phenyl-4-[3-(trifluoromethyl)phenoxy]pyrazolo[3,4-d]pyrimidine

Systemtic Name: 6-ethylsulfanyl-1-phenyl-4-[3-(trifluoromethyl)phenoxy]pyrazolo[3,4-d]pyrimidine Openeye Name: 6-ethylsulfanyl-1-phenyl-4-[3-(trifluoromethyl)phenoxy]pyrazolo[3,4-d]pyrimidine CAS Name: 6-(ethylthio)-1-phenyl-4-[3-(trifluoromethyl)phenoxy]pyrazolo[3,4-d]pyrimidine IUPAC Name: 6-ethylsulfanyl-1-phenyl-4-[3-(trifluoromethyl)phenoxy]pyrazolo[3,4-d]pyrimidine Traditional Name: 6-(ethylthio)-1-phenyl-4-[3-(trifluoromethyl)phenoxy]pyrazolo[3,4-d]pyrimidine Formula: C20H15F3N4OS MolecularWeight: 416.41951

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)OC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CCSC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)OC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C20H15F3N4OS/c1-2-29-19-25-17-16(12-24-27(17)14-8-4-3-5-9-14)18(26-19)28-15-10-6-7-13(11-15)20(21,22)23/h3-12H,2H2,1H3