4-[2-(4-fluorophenyl)-2-oxidanyl-1-(1,2,4-triazol-1-yl)ethyl]benzenecarbonitrile

Systemtic Name: 4-[2-(4-fluorophenyl)-2-oxidanyl-1-(1,2,4-triazol-1-yl)ethyl]benzenecarbonitrile Openeye Name: 4-[2-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)ethyl]benzonitrile CAS Name: 4-[2-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)ethyl]benzonitrile IUPAC Name: 4-[2-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)ethyl]benzonitrile Traditional Name: 4-[2-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)ethyl]benzonitrile Formula: C17H13FN4O MolecularWeight: 308.309723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(C(C2=CC=C(C=C2)F)O)N3C=NC=N3

Isomeric SMILES

C1=CC(=CC=C1C#N)C(C(C2=CC=C(C=C2)F)O)N3C=NC=N3

InChI

InChI=1S/C17H13FN4O/c18-15-7-5-14(6-8-15)17(23)16(22-11-20-10-21-22)13-3-1-12(9-19)2-4-13/h1-8,10-11,16-17,23H