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

Systemtic Name: methyl 5-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C15H12FN3O3S MolecularWeight: 333.337483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NN=CN2C3=CC=CC=C3F

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NN=CN2C3=CC=CC=C3F

InChI

InChI=1S/C15H12FN3O3S/c1-21-14(20)13-7-6-10(22-13)8-23-15-18-17-9-19(15)12-5-3-2-4-11(12)16/h2-7,9H,8H2,1H3