2-[2-cyano-1-(1,2,4-triazol-1-yl)hexan-2-yl]benzenecarbonitrile

Systemtic Name: 2-[2-cyano-1-(1,2,4-triazol-1-yl)hexan-2-yl]benzenecarbonitrile Openeye Name: 2-[1-cyano-1-(1,2,4-triazol-1-ylmethyl)pentyl]benzonitrile CAS Name: 2-[2-cyano-1-(1,2,4-triazol-1-yl)hexan-2-yl]benzonitrile IUPAC Name: 2-[2-cyano-1-(1,2,4-triazol-1-yl)hexan-2-yl]benzonitrile Traditional Name: 2-[1-cyano-1-(1,2,4-triazol-1-ylmethyl)pentyl]benzonitrile Formula: C16H17N5 MolecularWeight: 279.33968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CN1C=NC=N1)(C#N)C2=CC=CC=C2C#N

Isomeric SMILES

CCCCC(CN1C=NC=N1)(C#N)C2=CC=CC=C2C#N

InChI

InChI=1S/C16H17N5/c1-2-3-8-16(10-18,11-21-13-19-12-20-21)15-7-5-4-6-14(15)9-17/h4-7,12-13H,2-3,8,11H2,1H3