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

Systemtic Name: (phenylmethyl) 5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C21H14F3N3O2S MolecularWeight: 429.41497

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14F3N3O2S/c22-21(23,24)15-8-4-9-16(12-15)27-19(17-10-5-11-30-17)25-18(26-27)20(28)29-13-14-6-2-1-3-7-14/h1-12H,13H2