methyl 3-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C17H14FN3O2S MolecularWeight: 343.375363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC2=NNC(=N2)C3=CC=CC=C3F

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=NNC(=N2)C3=CC=CC=C3F

InChI

InChI=1S/C17H14FN3O2S/c1-23-16(22)12-6-4-5-11(9-12)10-24-17-19-15(20-21-17)13-7-2-3-8-14(13)18/h2-9H,10H2,1H3,(H,19,20,21)