5-(pyrimidin-2-ylsulfanylmethyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

Systemtic Name: 5-(pyrimidin-2-ylsulfanylmethyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole Openeye Name: 5-(pyrimidin-2-ylsulfanylmethyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole CAS Name: 5-[(2-pyrimidinylthio)methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole IUPAC Name: 5-(pyrimidin-2-ylsulfanylmethyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole Traditional Name: 5-[(2-pyrimidylthio)methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole Formula: C14H9F3N4OS MolecularWeight: 338.30767

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C2=NOC(=N2)CSC3=NC=CC=N3

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C2=NOC(=N2)CSC3=NC=CC=N3

InChI

InChI=1S/C14H9F3N4OS/c15-14(16,17)10-4-1-3-9(7-10)12-20-11(22-21-12)8-23-13-18-5-2-6-19-13/h1-7H,8H2