(2-chloranyl-5-methyl-phenyl) 1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate

Systemtic Name: (2-chloranyl-5-methyl-phenyl) 1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Openeye Name: (2-chloro-5-methyl-phenyl) 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 (2-chloro-5-methylphenyl) ester IUPAC Name: (2-chloro-5-methylphenyl) 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 (2-chloro-5-methyl-phenyl) ester Formula: C20H13ClFN3O2S MolecularWeight: 413.852523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC(=CC=C4)F

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC(=CC=C4)F

InChI

InChI=1S/C20H13ClFN3O2S/c1-12-7-8-15(21)16(10-12)27-20(26)18-23-19(17-6-3-9-28-17)25(24-18)14-5-2-4-13(22)11-14/h2-11H,1H3