2-phenyl-2-(1,2,4-triazol-1-ylmethyl)-4-[3-(trifluoromethyl)phenyl]butanenitrile

Systemtic Name: 2-phenyl-2-(1,2,4-triazol-1-ylmethyl)-4-[3-(trifluoromethyl)phenyl]butanenitrile Openeye Name: 2-phenyl-2-(1,2,4-triazol-1-ylmethyl)-4-[3-(trifluoromethyl)phenyl]butanenitrile CAS Name: 2-phenyl-2-(1,2,4-triazol-1-ylmethyl)-4-[3-(trifluoromethyl)phenyl]butanenitrile IUPAC Name: 2-phenyl-2-(1,2,4-triazol-1-ylmethyl)-4-[3-(trifluoromethyl)phenyl]butanenitrile Traditional Name: 2-phenyl-2-(1,2,4-triazol-1-ylmethyl)-4-[3-(trifluoromethyl)phenyl]butyronitrile Formula: C20H17F3N4 MolecularWeight: 370.37099

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCC2=CC(=CC=C2)C(F)(F)F)(CN3C=NC=N3)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(CCC2=CC(=CC=C2)C(F)(F)F)(CN3C=NC=N3)C#N

InChI

InChI=1S/C20H17F3N4/c21-20(22,23)18-8-4-5-16(11-18)9-10-19(12-24,13-27-15-25-14-26-27)17-6-2-1-3-7-17/h1-8,11,14-15H,9-10,13H2