ethyl 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-2-fluoranyl-ethanoate

Systemtic Name: ethyl 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-2-fluoranyl-ethanoate Openeye Name: ethyl 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-2-fluoro-acetate CAS Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-2-fluoroacetic acid ethyl ester IUPAC Name: ethyl 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-2-fluoroacetate Traditional Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-2-fluoro-acetic acid ethyl ester Formula: C18H16FN3O2S MolecularWeight: 357.401943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(F)SC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(F)SC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H16FN3O2S/c1-2-24-17(23)15(19)25-18-21-20-16(13-9-5-3-6-10-13)22(18)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3