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

Systemtic Name: 3-cyanopropyl 5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate Openeye Name: 3-cyanopropyl 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-cyanopropyl ester IUPAC Name: 3-cyanopropyl 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 3-cyanopropyl ester Formula: C18H13F3N4O2S MolecularWeight: 406.38163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13F3N4O2S/c19-18(20,21)12-5-3-6-13(11-12)25-16(14-7-4-10-28-14)23-15(24-25)17(26)27-9-2-1-8-22/h3-7,10-11H,1-2,9H2