4-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]benzenecarbonitrile Openeye Name: 4-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]benzonitrile CAS Name: 4-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]benzonitrile IUPAC Name: 4-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]benzonitrile Traditional Name: 4-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]benzonitrile Formula: C13H15N5 MolecularWeight: 241.2917

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=CN1C)NCC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C1=NN=CN1C)NCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H15N5/c1-10(13-17-16-9-18(13)2)15-8-12-5-3-11(7-14)4-6-12/h3-6,9-10,15H,8H2,1-2H3