tert-butyl 2-[[5-(2-fluorophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: tert-butyl 2-[[5-(2-fluorophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: tert-butyl 2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(2-fluorophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester Formula: C21H22FN3O2S MolecularWeight: 399.481683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CC=C3F

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CC=C3F

InChI

InChI=1S/C21H22FN3O2S/c1-21(2,3)27-18(26)14-28-20-24-23-19(16-11-7-8-12-17(16)22)25(20)13-15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3