1-[2-(trifluoromethyl)quinazolin-4-yl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[2-(trifluoromethyl)quinazolin-4-yl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[2-(trifluoromethyl)quinazolin-4-yl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[2-(trifluoromethyl)-4-quinazolinyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[2-(trifluoromethyl)quinazolin-4-yl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-[2-(trifluoromethyl)quinazolin-4-yl]-1,2,4-triazole-3-carbonitrile Formula: C12H5F3N6 MolecularWeight: 290.20351

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)N3C=NC(=N3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)N3C=NC(=N3)C#N

InChI

InChI=1S/C12H5F3N6/c13-12(14,15)11-18-8-4-2-1-3-7(8)10(19-11)21-6-17-9(5-16)20-21/h1-4,6H