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

Systemtic Name: 2-[1-(1,2,4-triazol-1-yl)pentan-2-yl]benzenecarbonitrile Openeye Name: 2-[1-(1,2,4-triazol-1-ylmethyl)butyl]benzonitrile CAS Name: 2-[1-(1,2,4-triazol-1-yl)pentan-2-yl]benzonitrile IUPAC Name: 2-[1-(1,2,4-triazol-1-yl)pentan-2-yl]benzonitrile Traditional Name: 2-[1-(1,2,4-triazol-1-ylmethyl)butyl]benzonitrile Formula: C14H16N4 MolecularWeight: 240.30364

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CN1C=NC=N1)C2=CC=CC=C2C#N

Isomeric SMILES

CCCC(CN1C=NC=N1)C2=CC=CC=C2C#N

InChI

InChI=1S/C14H16N4/c1-2-5-13(9-18-11-16-10-17-18)14-7-4-3-6-12(14)8-15/h3-4,6-7,10-11,13H,2,5,9H2,1H3