N,4-bis[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine

Systemtic Name: N,4-bis[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine Openeye Name: N,4-bis[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine CAS Name: N,4-bis[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine IUPAC Name: N,4-bis[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine Traditional Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]amine Formula: C18H8F12N4 MolecularWeight: 508.263758

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(F)(F)F)NC2=NN=CN2C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=C(C=C(C=C1C(F)(F)F)NC2=NN=CN2C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H8F12N4/c19-15(20,21)8-1-9(16(22,23)24)4-12(3-8)32-14-33-31-7-34(14)13-5-10(17(25,26)27)2-11(6-13)18(28,29)30/h1-7H,(H,32,33)