1-(phenylmethyl)-5-[2,4,5-tris(fluoranyl)phenyl]-1,2,3-triazole-4-carbonitrile

Systemtic Name: 1-(phenylmethyl)-5-[2,4,5-tris(fluoranyl)phenyl]-1,2,3-triazole-4-carbonitrile Openeye Name: 1-benzyl-5-(2,4,5-trifluorophenyl)triazole-4-carbonitrile CAS Name: 1-(phenylmethyl)-5-(2,4,5-trifluorophenyl)-4-triazolecarbonitrile IUPAC Name: 1-benzyl-5-(2,4,5-trifluorophenyl)triazole-4-carbonitrile Traditional Name: 1-benzyl-5-(2,4,5-trifluorophenyl)triazole-4-carbonitrile Formula: C16H9F3N4 MolecularWeight: 314.26467

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(N=N2)C#N)C3=CC(=C(C=C3F)F)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(N=N2)C#N)C3=CC(=C(C=C3F)F)F

InChI

InChI=1S/C16H9F3N4/c17-12-7-14(19)13(18)6-11(12)16-15(8-20)21-22-23(16)9-10-4-2-1-3-5-10/h1-7H,9H2