2-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile

Systemtic Name: 2-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Openeye Name: 2-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile CAS Name: 2-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile IUPAC Name: 2-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Traditional Name: 2-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Formula: C15H17FN4 MolecularWeight: 272.320683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CN1C=NC=N1)(C#N)C2=CC=C(C=C2)F

Isomeric SMILES

CCCCC(CN1C=NC=N1)(C#N)C2=CC=C(C=C2)F

InChI

InChI=1S/C15H17FN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3