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

Systemtic Name: 3-oxidanylidenebutan-2-yl 1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Openeye Name: (1-methyl-2-oxo-propyl) 1-(4-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carboxylic acid (2-keto-1-methyl-propyl) ester Formula: C17H14FN3O3S MolecularWeight: 359.374763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)C1=NN(C(=N1)C2=CC=CS2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)C)OC(=O)C1=NN(C(=N1)C2=CC=CS2)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H14FN3O3S/c1-10(22)11(2)24-17(23)15-19-16(14-4-3-9-25-14)21(20-15)13-7-5-12(18)6-8-13/h3-9,11H,1-2H3