5-azanyl-1-(4-ethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-1-(4-ethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-(4-ethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide CAS Name: 5-amino-1-(4-ethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-4-triazolecarboxamide IUPAC Name: 5-amino-1-(4-ethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide Traditional Name: 5-amino-1-p-phenetyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide Formula: C18H16F3N5O2 MolecularWeight: 391.34715

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)N

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)N

InChI

InChI=1S/C18H16F3N5O2/c1-2-28-14-8-6-13(7-9-14)26-16(22)15(24-25-26)17(27)23-12-5-3-4-11(10-12)18(19,20)21/h3-10H,2,22H2,1H3,(H,23,27)