3-oxidanylidenebutan-2-yl 5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate

Systemtic Name: 3-oxidanylidenebutan-2-yl 5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate Openeye Name: (1-methyl-2-oxo-propyl) 5-(2-thienyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate CAS Name: 5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate Traditional Name: 5-(2-thienyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylic acid (2-keto-1-methyl-propyl) ester Formula: C18H14F3N3O3S MolecularWeight: 409.38227

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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=CC(=C3)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C18H14F3N3O3S/c1-10(25)11(2)27-17(26)15-22-16(14-7-4-8-28-14)24(23-15)13-6-3-5-12(9-13)18(19,20)21/h3-9,11H,1-2H3