1-[[2-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[[2-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[[2-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[[2-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[[2-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-[2-(trifluoromethyl)benzyl]-1,2,4-triazole-3-carbonitrile Formula: C11H7F3N4 MolecularWeight: 252.19529

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=NC(=N2)C#N)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=NC(=N2)C#N)C(F)(F)F

InChI

InChI=1S/C11H7F3N4/c12-11(13,14)9-4-2-1-3-8(9)6-18-7-16-10(5-15)17-18/h1-4,7H,6H2