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

Systemtic Name: 4-[2-methyl-1-(1H-1,2,4-triazol-5-yl)propyl]benzenecarbonitrile Openeye Name: 4-[2-methyl-1-(1H-1,2,4-triazol-5-yl)propyl]benzonitrile CAS Name: 4-[2-methyl-1-(1H-1,2,4-triazol-5-yl)propyl]benzonitrile IUPAC Name: 4-[2-methyl-1-(1H-1,2,4-triazol-5-yl)propyl]benzonitrile Traditional Name: 4-[2-methyl-1-(1H-1,2,4-triazol-5-yl)propyl]benzonitrile Formula: C13H14N4 MolecularWeight: 226.27706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)C#N)C2=NC=NN2

Isomeric SMILES

CC(C)C(C1=CC=C(C=C1)C#N)C2=NC=NN2

InChI

InChI=1S/C13H14N4/c1-9(2)12(13-15-8-16-17-13)11-5-3-10(7-14)4-6-11/h3-6,8-9,12H,1-2H3,(H,15,16,17)