2-(5-butyl-1H-1,2,4-triazol-3-yl)benzenecarbonitrile

Systemtic Name: 2-(5-butyl-1H-1,2,4-triazol-3-yl)benzenecarbonitrile Openeye Name: 2-(5-butyl-1H-1,2,4-triazol-3-yl)benzonitrile CAS Name: 2-(5-butyl-1H-1,2,4-triazol-3-yl)benzonitrile IUPAC Name: 2-(5-butyl-1H-1,2,4-triazol-3-yl)benzonitrile Traditional Name: 2-(5-butyl-1H-1,2,4-triazol-3-yl)benzonitrile Formula: C13H14N4 MolecularWeight: 226.27706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1)C2=CC=CC=C2C#N

Isomeric SMILES

CCCCC1=NC(=NN1)C2=CC=CC=C2C#N

InChI

InChI=1S/C13H14N4/c1-2-3-8-12-15-13(17-16-12)11-7-5-4-6-10(11)9-14/h4-7H,2-3,8H2,1H3,(H,15,16,17)