(4-acetamidophenyl) 1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate

Systemtic Name: (4-acetamidophenyl) 1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Openeye Name: (4-acetamidophenyl) 1-(3-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carboxylate CAS Name: 1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Traditional Name: 1-(3-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carboxylic acid (4-acetamidophenyl) ester Formula: C21H15FN4O3S MolecularWeight: 422.432203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC(=CC=C4)F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC(=CC=C4)F

InChI

InChI=1S/C21H15FN4O3S/c1-13(27)23-15-7-9-17(10-8-15)29-21(28)19-24-20(18-6-3-11-30-18)26(25-19)16-5-2-4-14(22)12-16/h2-12H,1H3,(H,23,27)