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

Systemtic Name: cyanomethyl 5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate Openeye Name: cyanomethyl 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 cyanomethyl ester IUPAC Name: cyanomethyl 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 cyanomethyl ester Formula: C16H9F3N4O2S MolecularWeight: 378.32847

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=NC(=N2)C(=O)OCC#N)C3=CC=CS3)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=NC(=N2)C(=O)OCC#N)C3=CC=CS3)C(F)(F)F

InChI

InChI=1S/C16H9F3N4O2S/c17-16(18,19)10-3-1-4-11(9-10)23-14(12-5-2-8-26-12)21-13(22-23)15(24)25-7-6-20/h1-5,8-9H,7H2