4-[(4-methylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(4-methylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]benzenecarbonitrile Openeye Name: 4-[p-tolyl(1H-1,2,4-triazol-5-yl)methyl]benzonitrile CAS Name: 4-[(4-methylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]benzonitrile IUPAC Name: 4-[(4-methylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]benzonitrile Traditional Name: 4-[p-tolyl(1H-1,2,4-triazol-5-yl)methyl]benzonitrile Formula: C17H14N4 MolecularWeight: 274.31986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C#N)C3=NC=NN3

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C#N)C3=NC=NN3

InChI

InChI=1S/C17H14N4/c1-12-2-6-14(7-3-12)16(17-19-11-20-21-17)15-8-4-13(10-18)5-9-15/h2-9,11,16H,1H3,(H,19,20,21)