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

Systemtic Name: 2-oxidanylidenepropyl 5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate Openeye Name: acetonyl 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 2-oxopropyl ester IUPAC Name: 2-oxopropyl 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 acetonyl ester Formula: C17H12F3N3O3S MolecularWeight: 395.35569

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12F3N3O3S/c1-10(24)9-26-16(25)14-21-15(13-6-3-7-27-13)23(22-14)12-5-2-4-11(8-12)17(18,19)20/h2-8H,9H2,1H3